SCHEMBL7428451

SCHEMBL7428451

CC(C)(C)NC[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
PRKCA P17252 2/20 0.50
PRKCD Q05655 2/20 0.50
SYK P43405 1/20 0.50
LTA4H P09960 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
BCL2 P10415 1/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6431215 0.89 PRKCA (0.60) ADRB2ADRB1ADRB3PRKCAPRKCD
SCHEMBL7428462 0.84 SYK (0.50) PRKCAPRKCDSYKLTA4HNPC1
SCHEMBL1553476 0.84 SYK (0.54) ADRB2ADRB1ADRB3PRKCAPRKCD
SCHEMBL30771411 0.83 SYK (0.53) ADRB2ADRB1ADRB3PRKCAPRKCD
SCHEMBL9533724 0.81 SYK (0.51) ADRB2ADRB1ADRB3PRKCAPRKCD
SCHEMBL31724393 0.81 SYK (0.54) ADRB2ADRB1ADRB3PRKCAPRKCD
SCHEMBL20425275 0.79 SYK (0.53) ADRB2ADRB1ADRB3SYKLTA4H
SCHEMBL17602183 0.79 MAPT (0.54) SYKLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL5667786 0.78 SYK (0.55) SYKMAPT
SCHEMBL7428446 0.78 ATM (0.61) ADRB2ADRB1ADRB3SYKLTA4H

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-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed