SCHEMBL414964

SCHEMBL414964

CC(=O)Oc1cc(OC(C)=O)cc(C(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TTR P02766 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA5A P35218 1/20 0.46
CYP19A1 P11511 1/20 0.46
ELANE P08246 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL13586886 0.95 LMNA (0.46) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL2010436 0.87 LMNA (0.59) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL16953510 0.86 LMNA (0.50) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL12948085 0.86 MEN1 (0.40) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL417129 0.84 HSD17B10 (0.57) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL3678589 0.82 LMNA (0.47) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL9356177 0.82 LMNA (0.47) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL3675831 0.82 LMNA (0.47) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL392901 0.82 LMNA (0.47) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL7954358 0.80 CA1 (0.52) LMNAMAPTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172617-A1 RESVERATROL INTERMEDIATES DAL DSM IP ASSETS B.V. (NL) 2012-07-05 US claimed
EP-2373611-A2 PROCESS FOR RESVERATROL INTERMEDIATE DSM IP Assets B.V. (NL) 2011-10-12 EP claimed
WO-2010079123-A2 PROCESS FOR RESVERATROL INTERMEDIATE DSM IP ASSETS B.V. (NL) 2010-07-15 WO claimed
CN-118530113-B Preparation method of 2,3, 5-trimethylhydroquinone diester 山东富宇石化有限公司 2024-11-15 CN disclosed
CN-118530113-A Preparation method of 2,3, 5-trimethylhydroquinone diester 山东富宇石化有限公司 2024-08-23 CN disclosed
WO-2024090554-A1 COMPOSITION FOR FLUORINE RUBBER CROSSLINKING AND MOLDED ARTICLE ダイキン工業株式会社 2024-05-02 WO disclosed
CN-117285413-A Synthesis method of terbutaline key intermediate 3, 5-dihydroxyacetophenone 重庆恩联生物科技有限公司 2023-12-26 CN disclosed
CN-111499528-B Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate 成都瑞特恩科技有限公司 2023-06-20 CN disclosed
CN-111499528-A Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate 成都瑞特恩科技有限公司 2020-08-07 CN disclosed
US-9605171-B2 Solid red ink formulations XEROX CORPORATION (US) 2017-03-28 US disclosed
CN-105254512-B Preparation method of terbutaline sulphate 山东达因海洋生物制药股份有限公司 2017-03-22 CN disclosed
EP-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0110202-B1 PROCESS FOR THE PREPARATION OF PHENYLETHANOL AMINES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1986-10-15 EP disclosed
EP-0110202-A2 Process for the preparation of phenylethanol amines SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-06-13 EP disclosed
US-4245093-A BY BROMINATION OF ALKANOYLOXYACETOPHENONES POST-TREATED WITH A TRIALKYL PHOSPHITE INHIBITS POLYBROMINATED BY-PRODUCTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-13 US disclosed
US-4010191-A Acyl derivatives of substituted bis-arylalkylamino compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-01 US disclosed