SCHEMBL10349554

SCHEMBL10349554

CCCOc1cc(C=C(C)C(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
STK17B O94768 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TOP2A P11388 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.42
KLK7 P49862 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
SMPD1 P17405 1/20 0.41
AR P10275 1/20 0.41
APP P05067 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL10349553 1.00 ALDH1A1 (0.49) ALDH1A1STK17BKDM4ETOP2AMAPT
SCHEMBL10632104 0.93 STK17B (0.48) ALDH1A1STK17BKDM4ETOP2AMAPT
SCHEMBL10632110 0.93 STK17B (0.48) ALDH1A1STK17BKDM4ETOP2AMAPT
SCHEMBL2897273 0.93 STK17B (0.48) ALDH1A1STK17BKDM4ETOP2AMAPT
SCHEMBL4220954 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ETOP2AMAPTMEN1
SCHEMBL4210653 0.89 ALDH1A1 (0.63) ALDH1A1KDM4ETOP2AMAPTMEN1
SCHEMBL4219853 0.86 KDM4E (0.47) KDM4EMAPTMEN1KMT2AAKR1C3
SCHEMBL4219857 0.86 KDM4E (0.47) KDM4EMAPTMEN1KMT2AAKR1C3
SCHEMBL10638624 0.85 ALDH1A1 (0.48) ALDH1A1STK17BKDM4ETOP2AMAPT
SCHEMBL10638620 0.85 ALDH1A1 (0.48) ALDH1A1STK17BKDM4ETOP2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166542-B1 TRITERPENYL ESTERS OF ORGANIC ACIDS, PROCESS FOR THEIR PRODUCTION, AND HYPOLIPIDEMIC AGENTS COMPOSED OF THEM AMANO PHARMACEUTICAL CO., LTD. (JP) 1990-08-08 EP claimed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
EP-0166542-B1 TRITERPENYL ESTERS OF ORGANIC ACIDS, PROCESS FOR THEIR PRODUCTION, AND HYPOLIPIDEMIC AGENTS COMPOSED OF THEM AMANO PHARMACEUTICAL CO., LTD. (JP) 1990-08-08 EP disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP disclosed