SCHEMBL8005690

SCHEMBL8005690

CCc1sc(-c2ccc(OC)cc2)nc1-c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.68
PRMT1 Q99873 2/20 0.59
ATP4A P20648 2/20 0.55
ATP4B P51164 2/20 0.55
ALOX5 P09917 3/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48

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
SCHEMBL23424392 0.84 PTGDR2 (0.52) PTGDR2ALOX5KDM4E
SCHEMBL20767251 0.83 ALDH1A1 (0.67) PTGDR2PRMT1KDM4ENPC1PKM
SCHEMBL718120 0.80 PTGDR2 (0.54) PTGDR2ATP4AATP4BKDM4ENPC1
SCHEMBL11466220 0.80 ALDH1A1 (0.67) PTGDR2ATP4AATP4BKDM4ECYP1A2
SCHEMBL11455410 0.80 PTGS2 (0.66) PTGDR2ALOX5KDM4ENPC1PKM
SCHEMBL18003932 0.79 PTGDR2 (0.51) PTGDR2PRMT1ALOX5KDM4ENPC1
SCHEMBL31303783 0.79 PRMT1 (0.67) PTGDR2PRMT1ALOX5KDM4ENPC1
SCHEMBL18005062 0.79 PTGDR2 (0.46) PTGDR2PRMT1ATP4AATP4BALOX5
SCHEMBL18003676 0.77 L3MBTL1 (0.76) PTGDR2ALOX5KDM4ENPC1PKM
SCHEMBL10662994 0.77 ATP4A (0.73) PTGDR2ATP4AATP4B

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
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed