SCHEMBL30158783

SCHEMBL30158783

Cc1ccc(CN2C(=O)CC[C@H]2CC(=O)NC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.58
▸ ITGA4 P13612 11/20 0.58
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ YAP1 P46937 1/20 0.43

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
SCHEMBL30158678 1.00 ITGB1 (0.58) ITGB1ITGA4KMT2AGAACAPN1
SCHEMBL30158555 1.00 ITGB1 (0.58) ITGB1ITGA4KMT2AGAACAPN1
SCHEMBL30158849 1.00 ITGB1 (0.58) ITGB1ITGA4KMT2AGAACAPN1
SCHEMBL30158619 1.00 ITGB1 (0.58) ITGB1ITGA4KMT2AGAACAPN1
SCHEMBL30158924 0.91 ITGB1 (0.52) ITGB1ITGA4CAPN1ALDH1A1YAP1
SCHEMBL30158513 0.87 KMT2A (0.49) ITGB1ITGA4KMT2AGAAALDH1A1
SCHEMBL30158427 0.86 ITGB1 (0.53) ITGB1ITGA4KMT2ACAPN1ALDH1A1
SCHEMBL30158566 0.86 ITGB1 (0.53) ITGB1ITGA4KMT2ACAPN1ALDH1A1
SCHEMBL30158597 0.86 ITGB1 (0.53) ITGB1ITGA4KMT2ACAPN1ALDH1A1
SCHEMBL30157316 0.85 KMT2A (0.51) ITGB1ITGA4KMT2AGAAALDH1A1

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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