SCHEMBL7958239

SCHEMBL7958239

CC1(C)CNc2cccc(C(=O)O)c2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PKM P14618 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX5 P09917 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CREBBP Q92793 2/20 0.36
BRD4 O60885 2/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LIG1 P18858 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL21818563 0.82 ALOX5 (0.40) LMNAPKMALOX15ALOX5ALDH1A1
SCHEMBL7967862 0.77 ALOX5 (0.41) LMNAALOX15ALOX5NPSR1ALDH1A1
SCHEMBL31466638 0.75 KDM5A (0.39) KDM4E
SCHEMBL26131329 0.74 KDM4E (0.42) LMNAALOX15ALOX5ALDH1A1KDM4E
SCHEMBL30479629 0.74 HTR1A (0.35) LMNAPKMKDM4EBRD4
SCHEMBL4478323 0.74 HTR1A (0.35) LMNAPKMKDM4EBRD4
SCHEMBL16195591 0.74 ALOX5 (0.35) ALOX15ALOX5ALDH1A1KDM4ECREBBP
SCHEMBL783714 0.73 LMNA (0.59) LMNAPKMNPSR1ALDH1A1KDM4E
SCHEMBL672668 0.71 LMNA (0.44) LMNAPKMALOX15NPSR1ALDH1A1
SCHEMBL1340046 0.70 ALOX5 (0.40) ALOX15ALOX5NPSR1ALDH1A1KDM4E

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-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed