SCHEMBL5263402

SCHEMBL5263402

CC(Cc1cccc(Br)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
CTRB1 P17538 2/20 0.50
ATM Q13315 1/20 0.50
AAK1 Q2M2I8 3/20 0.49
PTGES O14684 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSK P43235 4/20 0.48
GLA P06280 1/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
ELANE P08246 1/20 0.47
CTSB P07858 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL6414189 1.00 SIGMAR1 (0.51) SIGMAR1CTRB1ATMAAK1PTGES
SCHEMBL10305326 0.87 CTRB1 (0.56) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL13534727 0.86 NPC1 (0.65) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL4033719 0.86 NPC1 (0.65) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL5122829 0.85 ALDH1A1 (0.59) CTSKCTSLCTSSCTSB
SCHEMBL16224709 0.85 ALDH1A1 (0.59) CTSKCTSLCTSSCTSB
SCHEMBL2985968 0.85 ALDH1A1 (0.52) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL22636059 0.85 TYR (0.56) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL22636060 0.85 TYR (0.56) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL13536730 0.85 ITGB3 (0.55) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed