SCHEMBL29876780

SCHEMBL29876780

Oc1ccc2cc3ccc(O)cc3c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.47
▸ ESR2 Q92731 8/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ LMNA P02545 3/20 0.39
▸ TYR P14679 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL125041 1.00 ESR1 (0.47) ESR1ESR2CYP1A2ALOX15HSD17B10
SCHEMBL14742461 0.89 CYP1A2 (0.54) ESR1ESR2CYP1A2HSD17B10CYP3A4
SCHEMBL14680504 0.87 MCL1 (0.43) ESR1ESR2CYP1A2HSD17B10MCL1
Methane SCHEMBL7938140 0.87 CYP1A2 (0.52) ESR1ESR2CYP1A2HSD17B10HIF1A
SCHEMBL670670 0.79 CYP1A2 (0.52) ESR1ESR2CYP1A2ALOX15HSD17B10
SCHEMBL3212292 0.79 PTPN22 (0.56) ESR1ESR2CYP1A2ALOX15HSD17B10
SCHEMBL29655555 0.79 PTPN22 (0.56) ESR1ESR2CYP1A2ALOX15HSD17B10
SCHEMBL29085467 0.79 CYP17A1 (0.46) ESR1ESR2CYP1A2CYP3A4MCL1
SCHEMBL13316750 0.77 ESR1 (0.42) ESR1ESR2CYP1A2MCL1
SCHEMBL2770679 0.77 CYP1A2 (0.46) ESR1ESR2CYP1A2ALOX15HSD17B10

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
WO-2024176757-A1 PROTECTIVE FILM FORMING COMPOSITION, SEMICONDUCTOR SUBSTRATE, AND ELECTRONIC COMPONENT 日産化学株式会社 2024-08-29 — — WO disclosed
US-11372330-B2 Anti-reflective coating forming composition containing reaction product of isocyanuric acid compound with benzoic acid compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2022-06-28 — — US disclosed
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