SCHEMBL1967799

SCHEMBL1967799

CCCc1ccc(-c2ccccc2)c(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PSMB5 P28074 1/20 0.40
ALOX5 P09917 2/20 0.40
PDK2 Q15119 1/20 0.39
BACE1 P56817 1/20 0.38
CSNK2A1 P68400 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
DPP4 P27487 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR3 P46089 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 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
SCHEMBL29712511 0.84 ALDH1A1 (0.44) ALOX5BACE1CSNK2A1DPP4
SCHEMBL27570605 0.83 DPP4 (0.52) CNR1CNR2PSMB5ALOX5PDK2
SCHEMBL30012274 0.79 ALDH1A1 (0.45) CNR1CNR2PSMB5ALOX5PDK2
SCHEMBL4664590 0.79 ALDH1A1 (0.41) CSNK2A1DPP4TP53MMP2MMP3
SCHEMBL1967796 0.79 FFAR1 (0.41) ALOX5DPP4SIGMAR1
SCHEMBL28581448 0.77 CNR1 (0.58) CNR1CNR2PSMB5ALOX5PDK2
SCHEMBL29100401 0.77 CNR1 (0.48) CNR1CNR2PSMB5ALOX5PDK2
SCHEMBL10825675 0.76 RARB (0.47) CNR1CNR2PSMB5PDK2BACE1
SCHEMBL19567203 0.76 CSNK2A1 (0.64) CNR1CNR2PSMB5ALOX5PDK2
SCHEMBL27836086 0.75 PSMB5 (0.52) PSMB5GPR3

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-2334636-A2 HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2011-06-22 EP disclosed
WO-2010032147-A2 HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2010-03-25 WO disclosed