SCHEMBL6226341

SCHEMBL6226341

COc1cc(OC)c2c(C)c(C(=O)O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
GPR17 Q13304 1/20 0.42

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
SCHEMBL19331208 0.84 GPR17 (0.46) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL29951196 0.81 ERN1 (0.48) ABCG2MEN1KMT2AALDH1A1GAA
SCHEMBL5716781 0.79 POLB (0.49) ABCG2MEN1KMT2AALDH1A1GAA
SCHEMBL9186020 0.78 GPR17 (0.64) ALDH1A1KDM4EHPGDGPR17HSD17B10
SCHEMBL19330865 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL19331407 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8054562 0.77 ALDH1A1 (0.61) ABCG2MEN1KMT2AALDH1A1GAA
SCHEMBL1144751 0.75 GPR17 (0.64) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL19331452 0.74 GPR17 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL29588320 0.74 ABCG2 (0.60) ABCG2MEN1KMT2AALDH1A1GAA

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
EP-1068858-B1 Use of 4,6-dimethoxyindole-2-carboxylic acid for stimulating or inducing hair growth and/or arresting hair loss OREAL (FR) 2005-04-13 EP claimed
EP-1068865-B1 Use of 4,6-dimethoxy-indole 2-carboxylic acid or derivatives thereof for seborrhea treatment OREAL (FR) 2005-03-16 EP claimed