SCHEMBL9150498

SCHEMBL9150498

CCCCCCCCCCCCCc1c[nH]c(C(=O)OCC(=O)NCCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
FAAH O00519 1/20 0.47
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9151658 0.82 PPARA (0.44) FAAHKDM4E
SCHEMBL9154517 0.81 BAZ2B (0.51) FAAHKMT2AMEN1GAA
SCHEMBL14930356 0.81 GABRP (0.44) HPGDKDM4EKMT2AMEN1MAPT
SCHEMBL9147935 0.81 BAZ2B (0.51) FAAHKMT2AMEN1GAA
SCHEMBL9151583 0.81 BAZ2B (0.51) FAAHKMT2AMEN1GAA
SCHEMBL9150866 0.81 GPR84 (0.40) FAAHHTTTHRBKDM4EMAPT
SCHEMBL9285452 0.79 BAZ2B (0.53) KMT2AMEN1GAA
SCHEMBL9151030 0.78 THRA (0.38) THRBPKM
SCHEMBL9151907 0.76 DNM1 (0.46) CYP1A2THRBKDM4EMAPT
Hydrochloric Acid SCHEMBL9146272 0.75 DNM1 (0.45) CYP1A2THRBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35096-E Antilipemic, anticholesterol, arteriosclerosis MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-21 US disclosed
US-5082856-A Hyperlipemia, arteriosclerosis MITSUBISHI KASEI CORPORATION (JP) 1992-01-21 US disclosed
EP-0347902-A2 Pyrrolecarboxylic acid derivatives Mitsubishi Chemical Corporation (JP) 1989-12-27 EP disclosed