SCHEMBL7872938

SCHEMBL7872938

CCCCCC#CC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.44
PTPN7 P35236 5/20 0.41
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10912609 0.98 HMGCR (0.46) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL31682154 0.98 HMGCR (0.46) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL11286065 0.93 TSHR (0.40) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL9626686 0.84 HMGCR (0.58) HMGCRPTPN7
SCHEMBL31189050 0.84 HMGCR (0.62) HMGCRPTPN7
SCHEMBL4530368 0.83
SCHEMBL28707678 0.83 HMGCR (0.45) HMGCRPTPN7RECQLTDP1
SCHEMBL4528142 0.82 ALDH1A1 (0.32) HMGCRALDH1A1SMN1; SMN2
SCHEMBL7925291 0.81 PTPN7 (0.43) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL4185263 0.81 HMGCR (0.44) HMGCRPTPN7RECQLTDP1

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-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP claimed
US-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 EP disclosed
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed
US-4230878-A AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed