SCHEMBL7693480

SCHEMBL7693480

CC(C)(C)[Si](C)(C)O[C@H](CBr)c1ccc(OCc2ccccc2)c(CS(N)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
CCR5 P51681 2/20 0.35
LMNA P02545 2/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KMT2A Q03164 1/20 0.33
P2RX4 Q99571 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PTGER1 P34995 2/20 0.32
ALOX5AP P20292 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5080739 1.00 ELANE (0.35) ELANECCR5LMNASTAT3HTT
SCHEMBL5969107 0.85 CCR5 (0.42) ELANECCR5LMNAHTTALDH1A1
SCHEMBL1315087 0.85 CCR5 (0.38) ELANECCR5LMNAHTTALDH1A1
SCHEMBL1315086 0.85 CCR5 (0.38) ELANECCR5LMNAHTTALDH1A1
SCHEMBL4016266 0.85 CCR5 (0.42) ELANECCR5LMNAHTTALDH1A1
SCHEMBL18227196 0.83 ALOX5AP (0.38) ELANECCR5LMNAALDH1A1RAB9A
Methylsulfanylmethane SCHEMBL6111453 0.82 CCR5 (0.39) ELANECCR5LMNAHTTALDH1A1
SCHEMBL14090693 0.82 CYP19A1 (0.39) ELANEADRA1DADRA1AADRA1BCYP19A1
SCHEMBL5969600 0.81 FOLH1 (0.48) ELANEALDH1A1PTGER1
SCHEMBL2454673 0.81 CYP19A1 (0.43) RAB9ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed