SCHEMBL7106985

SCHEMBL7106985

CCOC(=O)CNc1ccc(CCO)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
PPID Q08752 1/20 0.41
PPIG Q13427 1/20 0.41
ADRB3 P13945 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL7110289 0.88 LMNA (0.44) CYP4F2CYP4A11LMNAMAPTKMT2A
SCHEMBL7107961 0.82 CYP4F2 (0.48) CYP4F2CYP4A11LMNAMAPTTSHR
SCHEMBL7103590 0.77 CYP4F2 (0.64) CYP4F2CYP4A11LMNAMAPTSMN1; SMN2
SCHEMBL8082439 0.77 ADRB3 (0.72) LMNAADRB3
SCHEMBL8082444 0.77 ADRB3 (0.72) LMNAADRB3
SCHEMBL10956101 0.76 L3MBTL1 (0.62) LMNAMAPTKMT2ATSHRSMN1; SMN2
SCHEMBL15551545 0.76 HTT (0.58) LMNAMAPTKMT2ATSHRSMN1; SMN2
SCHEMBL31376456 0.76 HTT (0.58) LMNAMAPTKMT2ATSHRSMN1; SMN2
SCHEMBL7103144 0.74 LMNA (0.44) CYP4F2CYP4A11LMNAMAPTKMT2A
SCHEMBL25930508 0.73 L3MBTL1 (0.48) LMNAMAPTKMT2ATSHRSMN1; SMN2

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