SCHEMBL8463186

SCHEMBL8463186

CCCCCCCCCC#CCC=CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.47
PTPN7 P35236 5/20 0.47
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 3/20 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
SCHEMBL8463179 1.00 HMGCR (0.47) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL14691220 0.81 HMGCR (0.48) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL14691221 0.81 HMGCR (0.48) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL31509137 0.79 ABCG2 (0.49) HMGCRPTPN7RECQLMEN1USP2
SCHEMBL8633206 0.79 PTPN7 (0.42) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL11178921 0.79 ABCG2 (0.49) HMGCRPTPN7RECQLMEN1USP2
SCHEMBL14691063 0.78 HMGCR (0.45) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL14691061 0.78 HMGCR (0.45) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL10893940 0.78 HMGCR (0.41) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL10894980 0.78 HMGCR (0.41) HMGCRPTPN7RECQLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825812-A4 TETRADECATRIENYL AND TETRADECADIENYL ACETATES AND THEIR USE AS SEX ATTRACTANTS FOR TOMATO PESTS CORNELL RES FOUNDATION INC (US) 1999-10-27 EP disclosed
US-5728376-A Tetradecatrienyl and tetradecadienyl acetates and their use as sex attractants for tomato pests CORNELL RESEARCH FOUNDATION, INC. (US) 1998-03-17 US disclosed
EP-0825812-A1 TETRADECATRIENYL AND TETRADECADIENYL ACETATES AND THEIR USE AS SEX ATTRACTANTS FOR TOMATO PESTS CORNELL RESEARCH FOUNDATION, INC. (US) 1998-03-04 EP disclosed
WO-1996033612-A1 TETRADECATRIENYL AND TETRADECADIENYL ACETATES AND THEIR USE AS SEX ATTRACTANTS FOR TOMATO PESTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-10-31 WO disclosed