SCHEMBL9526776

SCHEMBL9526776

Cc1cc2[nH]c3c(c2c(C)c1O)-c1ccccc1C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 1/20 0.43
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 3/20 0.32
WEE1 P30291 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 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
SCHEMBL9526783 0.82 DRD1 (0.33) MAPK8MAPK9MAPK10DRD2DRD1
SCHEMBL9527328 0.81 CA1 (0.50) ADORA3ADORA2ACHEK1CA1CA2
SCHEMBL9528233 0.78 ALDH1A1 (0.32) ADORA3DRD2DRD1DRD5DRD3
SCHEMBL8524084 0.76 MAPK8 (0.39) MAPK8MAPK9MAPK10DRD2DRD1
SCHEMBL7849710 0.73 MAPT (0.37) DRD2DRD1DRD5DRD3MEN1
SCHEMBL9526780 0.71 DAO (0.41) ADORA3ADORA2ADRD2DRD1DRD5
SCHEMBL3903939 0.69 KDM4E (0.47) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL9526738 0.69 DAO (0.41) DRD2DRD1DRD5DRD3ALDH1A1
SCHEMBL14963713 0.68 MAOA (0.44) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL17434530 0.68 USP8 (0.37) MEN1ALDH1A1GAAKMT2ACHEK1

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
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed