SCHEMBL9492045

SCHEMBL9492045

C/C=C/C=C/CCC/C=C/CCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 4/20 0.38
FAAH O00519 3/20 0.38
CNR1 P21554 2/20 0.38
SOAT1 P35610 1/20 0.38
FASN P49327 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL9492047 1.00 ALDH1A1 (0.41) ALDH1A1TSHRCNR2FAAHCNR1
SCHEMBL16149703 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCNR2FAAHCNR1
SCHEMBL16149704 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCNR2FAAHCNR1
SCHEMBL6474983 0.89
SCHEMBL29291616 0.89
SCHEMBL6480405 0.89
SCHEMBL730605 0.89
SCHEMBL730606 0.89
SCHEMBL6480239 0.89
SCHEMBL732601 0.87 ALDH1A1 (0.41) ALDH1A1TSHRCNR2CNR1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530249-A1 AMORPHOUS POLYOLEFINS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP disclosed
WO-1991018029-A1 AMORPHOUS POLYOLEFINS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-28 WO disclosed