SCHEMBL30791024

SCHEMBL30791024

COCc1cc(C(C)C)c(CC(=O)OC(C)(C)C)c(C(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
PRKCE Q02156 1/20 0.32
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL20681593 1.00 MTNR1A (0.39) MTNR1AMTNR1BPRKCENLRP3
SCHEMBL20681146 0.84 PRKCE (0.35) PRKCE
SCHEMBL19507330 0.84 MTNR1A (0.40) MTNR1AMTNR1BNLRP3
SCHEMBL22014632 0.83 MTNR1A (0.37) MTNR1AMTNR1BNLRP3
SCHEMBL20681564 0.81 NR1H2 (0.31) MTNR1AMTNR1B
SCHEMBL20698785 0.79 NLRP3 (0.48) MTNR1AMTNR1BNLRP3
SCHEMBL23012491 0.78 AAK1 (0.37) MTNR1AMTNR1B
SCHEMBL29757342 0.78 AAK1 (0.37) MTNR1AMTNR1B
SCHEMBL29691333 0.78 AAK1 (0.37) MTNR1AMTNR1B
SCHEMBL20681246 0.78 MTNR1A (0.39) MTNR1AMTNR1BPRKCE

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-111094242-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2024-02-09 CN disclosed