SCHEMBL28983424

SCHEMBL28983424

CCC1CCc2c(c3cccc(C(=O)OC(=O)c4cccc5c6c([nH]c45)C=CC=CC6)c3n2Cc2cccc(C#N)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 10/20 0.35
▸ FABP3 P05413 2/20 0.33
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ KLK1 P06870 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL28983428 0.92 FABP4 (0.40) FABP4FABP3
SCHEMBL30398457 0.80 FABP4 (0.52) FABP4FABP3
SCHEMBL28983412 0.74 FABP4 (0.43) FABP4
SCHEMBL28983433 0.74 FABP4 (0.50) FABP4FABP3
SCHEMBL30317270 0.74 FABP4 (0.50) FABP4FABP3
SCHEMBL28983476 0.73 FABP4 (0.48) FABP4FABP3
SCHEMBL28983453 0.72 FABP4 (0.48) FABP4FABP3
SCHEMBL30317500 0.72 FABP4 (0.48) FABP4FABP3
SCHEMBL30317298 0.71 FABP4 (0.50) FABP4FABP3
SCHEMBL30398482 0.71 FABP4 (0.55) FABP4FABP3

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
CN-115803085-A Novel cell metabolism regulating compounds and uses 新月生物科学 2023-03-14 — — CN claimed
CN-115803085-A Novel cell metabolism regulating compounds and uses 新月生物科学 2023-03-14 — — CN disclosed
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