SCHEMBL11355259

SCHEMBL11355259

CCOc1cc(CC)c(C(CBr)c2cc(CC)c(OCC)cc2CC)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTPRC P08575 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL11351414 0.86 TAAR1 (0.50) TSHRTAAR1CYP3A4
SCHEMBL11349209 0.82 KDM4E (0.37) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL11365947 0.82 L3MBTL1 (0.36) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL11357222 0.74 ALOX15 (0.41) HSD17B10L3MBTL1MAPTNPSR1LMNA
SCHEMBL23326296 0.73 LMNA (0.52) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL21757374 0.73 LMNA (0.47) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL29775469 0.73 LMNA (0.52) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL11355764 0.72 THRB (0.35) TSHRHSD17B10L3MBTL1KDM4EALDH1A1
SCHEMBL6394052 0.72 LMNA (0.39) TSHRHSD17B10L3MBTL1MAPTNPSR1
SCHEMBL12797854 0.69 MAPT (0.47) TSHRHSD17B10L3MBTL1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001910-B1 PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF MONSANTO COMPANY (US) 1981-09-02 — — EP disclosed
US-4189610-A Preparation of 4,4-dioxy-substituted stilbenes MONSANTO COMPANY (US) 1980-02-19 — — US disclosed
EP-0001910-A1 Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
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