SCHEMBL7107215

SCHEMBL7107215

CCOC(=O)CNc1ccc(CCBr)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PPID Q08752 4/20 0.38
POLB P06746 1/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPIG Q13427 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL7103144 0.86 LMNA (0.44) LMNAPPIDPOLBPPIBPPIA
SCHEMBL7110289 0.85 LMNA (0.44) LMNAPPIDPOLBPPIBPPIA
SCHEMBL7102017 0.78 POLB (0.56) LMNAPPIDPOLBPPIBPPIA
SCHEMBL7103158 0.75 ADRB3 (0.61) LMNA
SCHEMBL7104581 0.74 LMNA (0.43) LMNAPPIDPOLBGAACYP1A2
SCHEMBL7105502 0.73 GAA (0.38) LMNAPPIDPOLBPPIBPPIA
SCHEMBL7106985 0.73 CYP4F2 (0.51) LMNAPPIDPOLBPPIBPPIA
SCHEMBL15337882 0.72 L3MBTL1 (0.46) LMNAPOLBGAAALDH1A1MAPT
SCHEMBL7107441 0.72 LMNA (0.41) LMNAPOLBGAAALDH1A1MAPT
SCHEMBL7103561 0.72 L3MBTL1 (0.43) LMNAPPIDPOLBCYP4F2CYP4A11

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