SCHEMBL9158709

SCHEMBL9158709

COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)CCN(C(=O)OC(C)(C)C)CC3c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.44
▸ TLR9 Q9NR96 3/20 0.43
▸ PRMT5 O14744 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ REV1 Q9UBZ9 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ S1PR5 Q9H228 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
SCHEMBL9165947 0.94 ESR2 (0.39) YAP1TLR9PRMT5HRH3PDE4B
SCHEMBL9157251 0.88 YAP1 (0.44) YAP1PRMT5GHSRS1PR5
SCHEMBL9162086 0.84 DRD1 (0.52) YAP1PRMT5GPR119
SCHEMBL9160083 0.84 YAP1 (0.44) YAP1PRMT5GHSRGPR119
SCHEMBL10486477 0.82 GHSR (0.43) YAP1TLR9GHSRREV1
SCHEMBL9161002 0.80 YAP1 (0.44) YAP1PRMT5GHSRGPR119
SCHEMBL10606164 0.79 PTGDR2 (0.41) PDE4BS1PR5
SCHEMBL10600866 0.78 PTGDR2 (0.44) S1PR5
SCHEMBL10486490 0.72 GHSR (0.44) YAP1PRMT5GHSR
SCHEMBL9157568 0.72 YAP1 (0.46) YAP1TLR9PRMT5TLR7GHSR

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
EP-0380355-B1 Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs SMITHKLINE BEECHAM CORP (US) 1995-01-11 — — EP disclosed
EP-0380355-A2 Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-08-01 — — EP disclosed
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