SCHEMBL19506965

SCHEMBL19506965

O=C(c1cc(-c2ccccc2Cc2ccccc2)cc(-c2ccccc2Oc2ccccc2)c1)c1cc(-c2ccccc2Oc2ccccc2)cc(-c2ccccc2Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.46
▸ PTGER1 P34995 7/20 0.44
▸ PTGER4 P35408 5/20 0.44
▸ PTGER3 P43115 5/20 0.44
▸ PTGER2 P43116 5/20 0.44
▸ BRD4 O60885 3/20 0.41
▸ CAMKK2 Q96RR4 2/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL132012 0.87 BRD4 (0.51) FFAR4BRD4CAMKK2SRD5A2PTGS2
SCHEMBL22699489 0.77 FFAR4 (0.48) FFAR4BRD4CAMKK2SRD5A2PTGS2
SCHEMBL12551528 0.75 NCOA1 (0.50) FFAR4BRD4PTGS2NCOA1NCOA3
SCHEMBL20075862 0.73 FFAR4 (0.47) FFAR4CAMKK2SRD5A2FFAR1NCOA1
SCHEMBL12551362 0.73 HPGD (0.46) FFAR4BRD4CAMKK2PTGS2NCOA1
SCHEMBL23369374 0.72 BRD4 (0.37) FFAR4BRD4CAMKK2PTGS2GAA
SCHEMBL17636920 0.71 SRD5A2 (0.50) SRD5A2GAA
SCHEMBL28180000 0.71 HRH1 (0.58) GAA
SCHEMBL9483097 0.70 NCOA1 (0.62) FFAR4SRD5A2PTGS2GAAFFAR1
SCHEMBL13191819 0.70 SRD5A2 (0.49) FFAR4SRD5A2GAAFFAR1

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
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 — — US disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 — — US disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 — — US disclosed
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