SCHEMBL5702172

SCHEMBL5702172

COc1cc2[nH]c(OC(=O)O)cc2cc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.50
SRD5A2 P31213 2/20 0.50
PRMT5 O14744 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ERBB4 Q15303 1/20 0.39
CARM1 Q86X55 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR2 O15552 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PSEN1 P49768 2/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL5701900 0.85 SRD5A2 (0.70) SRD5A1SRD5A2PRMT5EGFRERBB2
SCHEMBL5702169 0.84 SRD5A1 (0.54) SRD5A1SRD5A2RXFP1CTSVCTSL
SCHEMBL5702136 0.81 SRD5A1 (0.58) SRD5A1SRD5A2MRGPRX4RXFP1CTSV
SCHEMBL7033125 0.80 S1PR1 (0.38) PRMT5EGFRERBB2ERBB4CARM1
SCHEMBL7200219 0.79 SRD5A1 (0.53) SRD5A1SRD5A2PRMT5EGFRERBB2
SCHEMBL5701861 0.78 SRD5A1 (0.54) SRD5A1SRD5A2MRGPRX4RXFP1CTSV
SCHEMBL5701947 0.69 SRD5A1 (0.53) SRD5A1SRD5A2MRGPRX4PPARGPTGER1
SCHEMBL19178802 0.69 EHMT2 (0.50) SRD5A1SRD5A2RXFP1MEN1KMT2A
SCHEMBL5702163 0.68 SRD5A2 (0.76) SRD5A1SRD5A2RXFP1MEN1KMT2A
SCHEMBL6260071 0.68 KDM4E (0.46) SRD5A1SRD5A2RXFP1MEN1KMT2A

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