SCHEMBL7103590

SCHEMBL7103590

CCOC(=O)CNc1ccc(CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.48
PPID Q08752 4/20 0.47
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
CYP4Z1 Q86W10 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL7102017 0.86 POLB (0.56) CYP4F2CYP4A11POLBMAPTPPID
SCHEMBL9742443 0.85 POLB (0.61) CYP4F2CYP4A11POLBMAPTPPID
SCHEMBL23310021 0.85 POLB (0.66) CYP4F2CYP4A11POLBMAPTPPID
SCHEMBL7345267 0.84 MAPT (0.65) POLBMAPTPPIDKDM4EHTT
SCHEMBL28088277 0.83 POLB (0.58) CYP4F2CYP4A11POLBMAPTPPID
SCHEMBL7106134 0.82 CYP4F2 (0.66) CYP4F2CYP4A11POLBMAPTKDM4E
SCHEMBL4035087 0.82 POLB (0.65) POLBMAPTPPIDKDM4EHTT
Water SCHEMBL9248793 0.80 POLB (0.63) POLBMAPTPPIDKDM4EHTT
SCHEMBL1372423 0.80 POLB (0.63) POLBMAPTPPIDKDM4EHTT
SCHEMBL8868318 0.80 TSHR (0.64) CYP4F2CYP4A11POLBMAPTPPID

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
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed