SCHEMBL387696

SCHEMBL387696

CC(CCc1ccc(C(=O)CCCCc2ccccc2)s1)C(O)/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER2 P43116 8/20 0.38
PTGER4 P35408 7/20 0.38
FAAH O00519 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CES1 P23141 1/20 0.36
DPP4 P27487 1/20 0.36

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
Oxalic Acid SCHEMBL5167291 0.83 POLB (0.44) POLBTDP1PTGER2PTGER4FAAH
SCHEMBL5168860 0.82 POLB (0.45) POLBTDP1PTGER2PTGER4FAAH
Oxalic Acid SCHEMBL5165255 0.79 TDP1 (0.41) POLBTDP1PTGER2PTGER4LMNA
SCHEMBL4421342 0.78 TDP1 (0.47) POLBTDP1FAAHALDH1A1LMNA
Fumaric Acid SCHEMBL1363596 0.78 POLB (0.43) POLBTDP1PTGER2FAAHALDH1A1
Maleic Acid SCHEMBL4564915 0.78 POLB (0.43) POLBTDP1PTGER2FAAHALDH1A1
SCHEMBL5167288 0.77 POLB (0.43) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL387695 0.74 HCAR2 (0.43) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL6765320 0.71 TDP1 (0.49) POLBTDP1FAAHALDH1A1LMNA
SCHEMBL10597817 0.71 HPGD (0.64) POLBTDP1FAAHALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed