SCHEMBL7542403

SCHEMBL7542403

C=C(Cc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CA2 P00918 3/20 0.48
CAMK2A Q9UQM7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ABAT P80404 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTBP2 P56545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA2A P08913 2/20 0.39
SLC6A2 P23975 2/20 0.39

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
SCHEMBL14042627 0.89 FNTA (0.53) MAPTHSD17B10HTTGFERGPR55
SCHEMBL18020497 0.81 HTT (0.47) MAPTHSD17B10HTTGFERGPR55
SCHEMBL6546763 0.79 NPC1 (0.48) NPC1RAB9AKMT2ACTBP2ALDH1A1
Anolignan B SCHEMBL23268876 0.77 CA2 (0.54) MAPTHSD17B10HTTGFERGPR55
SCHEMBL10204706 0.75 MAPT (0.55) MAPTHSD17B10HTTGFERGPR55
SCHEMBL8964346 0.75 CA2 (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL7735456 0.75 CA2 (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL7856390 0.75 CA2 (0.58) MAPTHSD17B10HTTGFERGPR55
SCHEMBL5747824 0.73 MAPT (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL465583 0.73 CA2 (0.50) HSD17B10CA2CAMK2AESR1ESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204625-A1 PREPARATION OF 1,2-BIS(4-HYDROXYPHENYL)-2-HYDROXYPROPANES THE DOW CHEMICAL COMPANY (US) 2002-05-15 EP disclosed
US-6365788-B1 DEHALOGENATION, HYDROXYLATION OF 1,2-BIS(4-HYDROXYPHENYL)-HALOGEN PROPANES WITH WATER AND AN ALKALI OR ALKALINE EARTH METAL CARBONATE OR BICARBONATE THE DOW CHEMICAL COMPANY 2002-04-02 US disclosed
WO-2001009071-A1 PREPARATION OF 1,2-BIS(4-HYDROXYPHENYL)-2-HYDROXYPROPANES THE DOW CHEMICAL COMPANY (US) 2001-02-08 WO disclosed
EP-0927149-A1 PROCESS FOR PREPARING AND RECOVERING 4,4'-DIHYDROXY-ALPHA-ALKYLSTILBENE OR 4,4'-DIHYDROXY-ALPHA, ALPHA'-DIALKYLSTILBENE THE DOW CHEMICAL COMPANY (US) 1999-07-07 EP disclosed
US-5874645-A HEATING DIHYDROXYDIPHENYL COMPOUND WITH ACID TO CAUSE FORMATION OF DOUBLE BOND THE DOW CHEMICAL COMPANY (US) 1999-02-23 US disclosed
WO-1998011044-A1 PROCESS FOR PREPARING AND RECOVERING 4,4'-DIHYDROXY-ALPHA-ALKYLSTILBENE OR 4,4'-DIHYDROXY-ALPHA, ALPHA'-DIALKYLSTILBENE THE DOW CHEMICAL COMPANY (US) 1998-03-19 WO disclosed