SCHEMBL19223967

SCHEMBL19223967

O=Nc1ccc([C@@H](c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ESR1 P03372 8/20 0.41
▸ ESR2 Q92731 7/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ S100B P04271 1/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL19186633 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL17902710 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL29310046 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL17655674 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL14943982 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL19114376 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL13538934 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10ESR1ESR2PDCD1
SCHEMBL107699 0.85 — —
SCHEMBL31493923 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10ESR1ESR2S100B
Hydrochloric Acid SCHEMBL28416859 0.83 CA2 (0.50) ALDH1A1HSD17B10ESR1ESR2S100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202827-A1 SURFACE PROTECTIVE FILM, MAKING METHOD, AND SUBSTRATE PROCESSING LAMINATE Shin-Etsu Chemical Co., Ltd. (JP) 2017-08-09 — — EP disclosed
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