SCHEMBL7293154

SCHEMBL7293154

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3ccc(C(N)=S)cc3Br)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 2/20 0.31
EML4 Q9HC35 1/20 0.31
ALK Q9UM73 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7306131 0.91 ITGB3 (0.39) MEN1KMT2AGAAALOX12SMN1; SMN2
SCHEMBL7306124 0.91 ITGB3 (0.39) MEN1KMT2AGAAALOX12SMN1; SMN2
SCHEMBL7297503 0.86 L3MBTL1 (0.36) ALDH1A1GPR119KDM4EL3MBTL3L3MBTL1
SCHEMBL7297485 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2GPR119
SCHEMBL7347695 0.84 ITGB3 (0.42) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL7305692 0.83 ALK (0.40) GPR119ALKHRH3
SCHEMBL7299171 0.81 CCR2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL7299165 0.81 CCR2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL7305518 0.79 HRH3 (0.42) MEN1KMT2AMAPTSMN1; SMN2GPR119
SCHEMBL7304500 0.78 ITGB3 (0.38) ALDH1A1MEN1KMT2AKDM4EALK

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
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed