SCHEMBL29534823

SCHEMBL29534823

CCCCCON[C@@H](CC(C)C)[C@@H](O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.38
▸ PLA2G10 O15496 3/20 0.38
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G5 P39877 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL29778131 0.78 PLA2G10 (0.43) GPR84PLA2G10PLA2G2APLA2G5
SCHEMBL30565766 0.77 CACNA2D1 (0.39) —
SCHEMBL30637506 0.75 CACNA2D1 (0.33) —
SCHEMBL31003023 0.73 CACNA2D1 (0.41) —
SCHEMBL30442889 0.72 CACNA2D1 (0.44) —
SCHEMBL2695428 0.72 CACNA2D1 (0.44) —
SCHEMBL31692789 0.72 CACNA2D1 (0.40) —
SCHEMBL29885722 0.71 CACNA2D1 (0.42) —
3-Methylbutanoic Acid SCHEMBL627178 0.70 GPR84 (0.56) GPR84
SCHEMBL11909491 0.70 CACNA2D1 (0.46) —

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-114391012-A Pyridine derivatives as KIF18A inhibitors 美国安进公司 2022-04-22 — — CN disclosed
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