SCHEMBL7107961

SCHEMBL7107961

CCOC(=O)CNc1c(Cl)cc(CCO)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NLRP3 Q96P20 2/20 0.39
ABCB1 P08183 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPID Q08752 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 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
SCHEMBL7103561 0.87 L3MBTL1 (0.43) CYP4F2CYP4A11L3MBTL1SMN1; SMN2TSHR
SCHEMBL7106986 0.84 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2TSHRKDM4E
SCHEMBL7106985 0.82 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1SMN1; SMN2TSHR
SCHEMBL9832125 0.76 ABCB1 (0.47) L3MBTL1SMN1; SMN2HTTKDM4ENLRP3
SCHEMBL7103590 0.75 CYP4F2 (0.64) CYP4F2CYP4A11L3MBTL1SMN1; SMN2HTT
SCHEMBL7106250 0.74 CYP4F2 (0.48) CYP4F2CYP4A11L3MBTL1SMN1; SMN2TSHR
SCHEMBL5312679 0.73 NLRP3 (0.59) L3MBTL1SMN1; SMN2TSHRNLRP3POLB
SCHEMBL7105485 0.73 ADRB3 (0.68) LMNA
SCHEMBL7106244 0.73 ADRB3 (0.68) LMNA
SCHEMBL7103433 0.73 L3MBTL1 (0.41) CYP4F2CYP4A11L3MBTL1SMN1; SMN2HTT

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