SCHEMBL9117933

SCHEMBL9117933

COc1c(CC(C)O)ccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN5A Q14524 1/20 0.33
TCF4 P15884 2/20 0.32
CTNNB1 P35222 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDH1 P12830 1/20 0.32
APC P25054 1/20 0.32
TCF7L2 Q9NQB0 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
SCHEMBL27855116 0.79 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL6703683 0.76 AOC3 (0.47) GABRA1GABRB2MEN1KMT2AKDM4E
SCHEMBL12560287 0.75 ALDH1A1 (0.35) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL28028583 0.73 ALDH1A1 (0.34) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3458869 0.71 HTR2A (0.47) GAAHSD17B10
SCHEMBL28554357 0.71 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL15319480 0.71 HTR2A (0.44) MEN1KMT2A
SCHEMBL31357219 0.71 SMN1; SMN2 (0.47) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL28065858 0.71 ALOX5 (0.36) KDM4EALDH1A1
SCHEMBL3458865 0.71 HTR2A (0.47) GAAHSD17B10

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-1995019761-A1 NOVEL ALKYL INDANE ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed