SCHEMBL5702136

SCHEMBL5702136

COc1ccc(COc2cc3cc(OC(=O)O)[nH]c3cc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.58
SRD5A2 P31213 2/20 0.58
FLT3 P36888 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42
FFAR1 O14842 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5701861 0.87 SRD5A1 (0.54) SRD5A1SRD5A2RAB9ACTSVCTSL
SCHEMBL5702169 0.85 SRD5A1 (0.54) SRD5A1SRD5A2CTSVCTSLRXFP1
SCHEMBL5701889 0.84 SRD5A2 (0.82) SRD5A1SRD5A2FLT3POLBNPC1
SCHEMBL5702172 0.81 SRD5A1 (0.50) SRD5A1SRD5A2POLBCTSVCTSL
SCHEMBL7193910 0.78 SRD5A1 (0.62) SRD5A1SRD5A2FLT3POLBNPC1
SCHEMBL3420585 0.75 FLT3 (0.54) FLT3POLBNPC1RAB9ARXFP1
SCHEMBL3419450 0.75 PDGFRB (0.60) FLT3POLBNPC1RAB9AMEN1
SCHEMBL3243291 0.74 SRD5A2 (1.00) SRD5A1SRD5A2FLT3POLBNPC1
SCHEMBL7169748 0.74 SRD5A2 (1.00) SRD5A1SRD5A2FLT3POLBNPC1
SCHEMBL3409832 0.73 ALDH1A1 (0.68) SRD5A2FLT3SMN1; SMN2CTSVCTSL

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-1302460-B1 Indolecarboxylic compounds and their use as pharmaceutical compounds OREAL (FR) 2006-08-02 EP claimed