SCHEMBL7490235

SCHEMBL7490235

CCOP(=O)(OCC)C(C)(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
HMGCR P04035 1/20 0.30

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
SCHEMBL5962714 0.82 PPARD (0.36) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL2986782 0.81 HTT (0.31)
SCHEMBL10704347 0.80 MAPT (0.40) TSHRCYP3A4
SCHEMBL18048498 0.80 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL14105288 0.78 TSHR (0.40) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL2079486 0.77 TSHR (0.39) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL8820544 0.77 TSHR (0.39) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL1683251 0.75 TSHR (0.37) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL6553791 0.73 TSHR (0.36) TSHRSMN1; SMN2TP53TDP1PPARD
SCHEMBL905270 0.73 TSHR (0.36) TSHRSMN1; SMN2TP53TDP1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001951-B1 THIAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE SCHERING AG (DE) 2002-09-25 EP claimed
US-6384230-B1 2,6-DIMETHYL-5-((4-ETHOXYPHENYL)-METHOXY)-7-(2-METHYLTHIAZOL-4-YL)HEPTA -2,6-DIENOIC ACID ETHYL ESTER FROM MALIC ACID, WITTIG REACTION WITH 2-METHYL-4-THIAZOLYLMETHYL TRIPHENYL PHOSPHONIUM BROMIDE; INTERMEDIATES FOR EPOTHILONE A OR B SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-07 US claimed
CN-107427699-A For treating the KDM1A inhibitor of disease 伊美格生物科学公司 2017-12-01 CN disclosed
EP-2697191-B1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER IP GMBH (DE) 2015-11-18 EP disclosed
EP-1001951-B1 THIAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE SCHERING AG (DE) 2002-09-25 EP disclosed
EP-1001951-A1 THIAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-24 EP disclosed
WO-1999003848-A1 THIAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-28 WO disclosed
EP-0000833-B1 DERIVATIVES OF PHOSPHONOACYL PROLINES AND THEIR PHARMACEUTICAL USE E.R. Squibb & Sons, Inc. (US) 1981-09-02 EP disclosed
US-4151172-A Phosphonoacyl prolines and related compounds E. R. SQUIBB & SONS, INC. (US) 1979-04-24 US disclosed
EP-0000833-A1 Derivatives of phosphonoacyl prolines and their pharmaceutical use E.R. Squibb & Sons, Inc. (US) 1979-02-21 EP disclosed