SCHEMBL11119500

SCHEMBL11119500

CCCCCCCCCCCCNCc1cc(C)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.51
▸ CA2 P00918 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ CHRM2 P08172 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ AMY1A P0DUB6 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LMNA P02545 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
SCHEMBL20313356 0.88 CA12 (0.51) CA12CA2CA9CHRM2KDM4E
SCHEMBL18754079 0.87 AMY1A (0.49) CA12CA2CA9KDM4ETSHR
SCHEMBL13987051 0.85 CA2 (0.49) CA12CA2CA9KDM4ETSHR
SCHEMBL2795115 0.85 NPSR1 (0.55) CA12CA2CA9KDM4ETSHR
SCHEMBL24454069 0.82 AMY1A (0.47) CA12CA2CA9KDM4ETSHR
SCHEMBL5713847 0.81 PRKCI (0.50) CA12CA2CA9KDM4ETSHR
Hydrochloric Acid SCHEMBL28917664 0.81 AMY1A (0.46) CA12CA2CA9KDM4ETSHR
SCHEMBL20313355 0.81 CA12 (0.47) CA12CA2CA9CHRM2KDM4E
SCHEMBL13896556 0.80 AMY1A (0.49) CA12CA2CA9KDM4ETSHR
SCHEMBL15383498 0.80 AMY1A (0.52) CA12CA2KDM4ETSHRAMY1A

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-4466840-A Hydroxybenzyl amines as corrosion inhibitors and paint adhesion promoters AKZONA INCORPORATED (US) 1984-08-21 — — US claimed
US-4357181-A Hydroxybenzyl amines as corrosion inhibitors and paint adhesion promoters AKZONA INCORPORATED (US) 1982-11-02 — — US claimed
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