SCHEMBL4893531

SCHEMBL4893531

O=C(O)CCc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
KEAP1 Q14145 1/20 0.48
CYP19A1 P11511 1/20 0.48
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
FOLH1 Q04609 1/20 0.46
ELANE P08246 1/20 0.46
FFAR1 O14842 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SRD5A2 P31213 1/20 0.45
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28201987 0.98 AKR1C3 (0.50) AKR1C3GAAMAPTKEAP1CYP19A1
SCHEMBL11631691 0.89 NR4A1 (0.58) ALDH1A1FFAR1L3MBTL1SRD5A2LMNA
SCHEMBL28423359 0.88 AKR1C3 (0.59) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL7598180 0.86 HMGB1 (0.49) AKR1C3GAAMAPTKEAP1NR4A2
SCHEMBL8268149 0.86 SLC16A3 (0.49) KEAP1ALDH1A1ELANEFFAR1SRD5A2
SCHEMBL9627316 0.86 MAPT (0.50) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL9177089 0.86 AKR1C3 (0.48) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL14259339 0.85 KMT2A (0.56) KEAP1ALDH1A1FFAR1SRD5A2LMNA
SCHEMBL9715720 0.84 KEAP1 (0.47) GAAMAPTKEAP1NR4A2ALDH1A1
SCHEMBL6442157 0.84 CES2 (0.50) GAAKEAP1NR4A2ALDH1A1PTGER1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759466-B Splitting method of (+/-) -2- (3-benzoyl) -phenylpropionic acid 浙江瑞博制药有限公司 2022-04-08 CN claimed
CN-107759466-A The method for splitting of (±) 2 (3 benzoyl) phenylpropionic acid 浙江瑞博制药有限公司 2018-03-06 CN claimed
CN-102010327-A Splitting method of (+/-)-2-(3-benzoyl)-phenylpropionic acid ZHEJIANG JIUZHOU PHARM CO LTD 2011-04-13 CN claimed
US-5191112-A Salt formation, crystallization NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-02 US claimed
EP-0423467-A2 Method for optical resolution of (+/-)-2-(3-benzoyl)-phenylpropionic acid NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-04-24 EP claimed
JP-4069356-A None JP disclosed
JP-4069356-A None JP disclosed
CN-107759466-B Splitting method of (+/-) -2- (3-benzoyl) -phenylpropionic acid 浙江瑞博制药有限公司 2022-04-08 CN disclosed
CN-107759466-A The method for splitting of (±) 2 (3 benzoyl) phenylpropionic acid 浙江瑞博制药有限公司 2018-03-06 CN disclosed
CN-104546835-A Application of 3-(benzoyl phenyl) propionic acid derivative in treatment of connexin CX31 mediated skin diseases TIANJIN INT JOINT ACADEMY BIOTECHNOLOGY & MEDICINE 2015-04-29 CN disclosed
CN-102010327-B Splitting method of (+/-)-2-(3-benzoyl)-phenylpropionic acid ZHEJIANG JIUZHOU PHARM CO LTD 2013-04-10 CN disclosed
CN-102010327-A Splitting method of (+/-)-2-(3-benzoyl)-phenylpropionic acid ZHEJIANG JIUZHOU PHARM CO LTD 2011-04-13 CN disclosed
US-4937375-A (Phenylethenyl)phenylpropionic acid and its ester, and method for producing (benzoylphenyl)propionic acid or its ester NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-26 US disclosed
US-4922052-A (Vinylphenyl)phenylmethane and method for producing (benzoylphenyl) propionic acid NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-05-01 US disclosed
EP-0283038-A1 (Vinylphenyl)phenylmethane and method for producing (benzoylphenyl)propionic acid NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-21 EP disclosed
EP-0282066-A2 (Phenylethenyl) phenylpropionaldehyde and method for producing (benzoylphenyl) propionic acid using the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP disclosed
EP-0282065-A2 (Phenylethenyl) phenylpropionic acid and its ester, and method for producing (benzoylphenyl) propionic acid or its ester NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-14 EP disclosed
US-4111997-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL COMPANY, LTD. (JP) 1978-09-05 US disclosed
US-4007225-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-08 US disclosed
US-3953500-A ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-27 US disclosed