SCHEMBL29940268

SCHEMBL29940268

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.53
HSD17B1 P14061 7/20 0.53
MTNR1A P48039 9/20 0.49
MTNR1B P49286 9/20 0.49

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
SCHEMBL20264380 1.00 HSD17B2 (0.53) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264429 0.90 HSD17B2 (0.47) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940993 0.90 HSD17B2 (0.47) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264436 0.87 HSD17B2 (0.52) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264612 0.84 MTNR1A (0.46) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940686 0.84 MTNR1A (0.46) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940269 0.83 HSD17B2 (0.57) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL14518797 0.83 HSD17B2 (0.57) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264485 0.81 HTT (0.46)
SCHEMBL8668013 0.81 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