SCHEMBL11329901

SCHEMBL11329901

CCCCCCC(C)c1ccc(O)c(C(=O)NNC(=O)c2cc(C(C)CCCCCC)ccc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.52
▸ EGFR P00533 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ KAT8 Q9H7Z6 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ ADRB2 P07550 3/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL11312242 1.00 NAAA (0.52) NAAAEGFRSYKALOX5PTGS2
SCHEMBL3227231 0.86 KAT8 (0.57) NAAAALOX5PTGS2KAT8HSP90AA1
SCHEMBL27374196 0.86 KAT8 (0.57) NAAAALOX5PTGS2KAT8HSP90AA1
SCHEMBL3213862 0.85 KAT8 (0.56) NAAAALOX5PTGS2KAT8HSP90AA1
SCHEMBL3213853 0.84 KAT8 (0.42) NAAAKAT8HSP90AA1HSP90AB1
SCHEMBL11315020 0.83 GAA (0.54) NAAAALOX5HSP90AA1HSP90AB1ADRB2
SCHEMBL23920298 0.78 HSD17B10 (0.46) PTGS2ADRB2ADRB1ADRB3
SCHEMBL1835127 0.77 USP2 (0.42) —
SCHEMBL24592686 0.77 ESR1 (0.46) —
SCHEMBL1836601 0.77 USP2 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 — — US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 — — US disclosed
US-3994987-A Metal deactivators as adhesion promotors for vulcanizable elastomers to metals CIBA-GEIGY CORPORATION (US) 1976-11-30 — — US disclosed
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