SCHEMBL29940760

SCHEMBL29940760

CC=C(C)C(=O)N(C)c1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 12/20 0.58
▸ HSD17B1 P14061 11/20 0.58
▸ MTNR1A P48039 7/20 0.50
▸ MTNR1B P49286 7/20 0.50

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
SCHEMBL20264682 1.00 HSD17B2 (0.58) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264681 1.00 HSD17B2 (0.58) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL28148839 0.83 HSD17B2 (0.56) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL11027897 0.82 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL10940468 0.81 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264517 0.79 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264598 0.79 HSD17B2 (0.55) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264666 0.79 HSD17B2 (0.55) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264661 0.79 HSD17B2 (0.55) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940504 0.79 HSD17B2 (0.55) HSD17B2HSD17B1MTNR1AMTNR1B

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
CN-108203395-B Organoleptic compounds 国际香料和香精公司 2022-09-16 — — CN disclosed
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