SCHEMBL30158924

SCHEMBL30158924

Cc1cccc(CN2C(=O)CCC2CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.52
▸ ITGA4 P13612 10/20 0.52
▸ CAPN1 P07384 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL30158555 0.91 ITGB1 (0.58) ITGB1ITGA4CAPN1YAP1ALDH1A1
SCHEMBL30158678 0.91 ITGB1 (0.58) ITGB1ITGA4CAPN1YAP1ALDH1A1
SCHEMBL30158849 0.91 ITGB1 (0.58) ITGB1ITGA4CAPN1YAP1ALDH1A1
SCHEMBL30158619 0.91 ITGB1 (0.58) ITGB1ITGA4CAPN1YAP1ALDH1A1
SCHEMBL30158783 0.91 ITGB1 (0.58) ITGB1ITGA4CAPN1YAP1ALDH1A1
SCHEMBL30158632 0.89 ITGB1 (0.43) ITGB1ITGA4ALDH1A1
SCHEMBL30158427 0.87 ITGB1 (0.53) ITGB1ITGA4CAPN1POLBYAP1
SCHEMBL30158597 0.87 ITGB1 (0.53) ITGB1ITGA4CAPN1POLBYAP1
SCHEMBL30158566 0.87 ITGB1 (0.53) ITGB1ITGA4CAPN1POLBYAP1
SCHEMBL30158700 0.85 KMT2A (0.43) ITGB1ITGA4ALDH1A1

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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