SCHEMBL17570365

SCHEMBL17570365

Cc1cc(C(c2ccc(C(C)C)cc2)c2cc(C)c(O)cc2C)c(C)cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.55
▸ TRPA1 O75762 2/20 0.55
▸ CACNA1C Q13936 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX12 P18054 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL278561 0.92 CYP2D6 (0.50) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL21775831 0.87 ALDH1A1 (0.45) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL278773 0.87 CYP1A2 (0.45) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL12415075 0.87 KDM4E (0.45) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL12922960 0.87 KDM4E (0.45) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL13416158 0.85 CYP1A2 (0.43) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL10296819 0.84 TRPA1 (0.44) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL5612635 0.83 ALDH1A1 (0.45) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL12005179 0.82 CYP3A4 (0.41) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL13416157 0.82 ALDH1A1 (0.41) PTGS1TRPA1CACNA1CALDH1A1ALOX12

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
US-10017664-B2 Novolac resin-containing resist underlayer film-forming composition using bisphenol aldehyde NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-10 — — US disclosed
US-20160068709-A1 NOVOLAC RESIN-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION USING BISPHENOL ALDEHYDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-10 — — US disclosed
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