SCHEMBL7167288

SCHEMBL7167288

C=CCc1ccccc1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
PTGER1 P34995 4/20 0.46
PTGER4 P35408 4/20 0.46
PTGER3 P43115 4/20 0.46
PTGER2 P43116 4/20 0.46
FFAR1 O14842 5/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5683687 0.84 GABRA1 (0.43) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL59198 0.84 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
Hydrogen Peroxide SCHEMBL7819301 0.82 GABRA1 (0.58) KDM4EALDH1A1KMT2AGABRA1GABRB2
Hydrogen Peroxide SCHEMBL10784213 0.82 GABRA1 (0.58) KDM4EALDH1A1KMT2AGABRA1GABRB2
SCHEMBL6390178 0.81 AKR1B1 (0.55) KDM4EGABRA1GABRB2ADRA1A
2-Allylphenol SCHEMBL11362245 0.80 AKR1B1 (0.55) KEAP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL10603659 0.80 GABRA1 (0.50) KDM4EALDH1A1KMT2AGABRA1GABRB2
Benzene SCHEMBL28085432 0.79 GABRA1 (0.54) KDM4EALDH1A1KMT2AGABRA1GABRB2
Lithium SCHEMBL29605661 0.79 AKR1B1 (0.53) KDM4EGABRA1GABRB2ADRA1A
SCHEMBL8851286 0.79 KEAP1 (0.54) KEAP1PTGER1PTGER4PTGER3PTGER2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832923-A1 Polyamide-acrylonitrile butadiene blends with reduced gel and antigel agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-04-01 EP claimed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5852086-A Polyamide-acrylonitrile butadiene blends with reduced gel and antigel agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-12-22 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
EP-0832923-A1 Polyamide-acrylonitrile butadiene blends with reduced gel and antigel agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-04-01 EP disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed