SCHEMBL7804173

SCHEMBL7804173

CCCC=CCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4465842 0.85 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4465846 0.85 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6118063 0.85 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL13030012 0.84 FAAH (0.50) USP2LMNAALOX15
SCHEMBL16350138 0.84 FAAH (0.50) USP2LMNAALOX15
SCHEMBL16416073 0.82 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17784472 0.82 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4361309 0.81 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4361313 0.81 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL9675619 0.81 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121345-A1 ESTERS OF (+)-ALPHA-( 2,3- DIMETHOXYPHENYL) -1- 2-(4- FLUOROPHENYL) ETHYL]-4- PIPERIDINEMETHANOL AND THEIR USE AS PRODRUGS OF THE 5HT2A RECEPTOR ANTAGONIST MDL 110,907 Aventis Pharmaceuticals Inc. (US) 2001-08-08 EP disclosed
US-6063793-A ANTISEROTONIN AGENTS, PSYCHOLOGICAL DISORDERS AND TREATMENT OF SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 2000-05-16 US disclosed
WO-2000021930-A1 ESTERS OF (+)-ALPHA-( 2,3- DIMETHOXYPHENYL) -1-[2-(4- FLUOROPHENYL) ETHYL]-4- PIPERIDINEMETHANOL AND THEIR USE AS PRODRUGS OF THE 5HT2A RECEPTOR ANTAGONIST MDL 110,907 AVENTIS PHARMACEUTICALS INC. (US) 2000-04-20 WO disclosed
US-6028083-A ANTAGONIZE EFFECTS OF SEROTONIN AT THE 5HT.SUB.2A RECEPTOR AND ARE USEFUL IN TREATING VARIOUS CONDITIONS SUCH AS, PSYCHOSES SUCH AS SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 2000-02-22 US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO disclosed
US-4526900-A 7-Oxabicycloheptane substituted oxa prostaglandin analogs and their use in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-07-02 US disclosed