SCHEMBL30158427

SCHEMBL30158427

CCc1ccccc1CN1C(=O)CC[C@@H]1CC(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.53
▸ ITGA4 P13612 10/20 0.53
▸ CAPN1 P07384 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ YAP1 P46937 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
SCHEMBL30158566 1.00 ITGB1 (0.53) ITGB1ITGA4CAPN1ALDH1A1HSD17B10
SCHEMBL30158597 1.00 ITGB1 (0.53) ITGB1ITGA4CAPN1ALDH1A1HSD17B10
SCHEMBL30158676 0.88 ITGB1 (0.42) ITGB1ITGA4ALDH1A1KMT2A
SCHEMBL30158509 0.88 ITGB1 (0.51) ITGB1ITGA4CAPN1POLB
SCHEMBL30158924 0.87 ITGB1 (0.52) ITGB1ITGA4CAPN1ALDH1A1HSD17B10
SCHEMBL30158726 0.87 ITGA4 (0.50) ITGB1ITGA4CAPN1LMNAPOLB
SCHEMBL30158563 0.87 ITGA4 (0.50) ITGB1ITGA4CAPN1LMNAPOLB
SCHEMBL30158555 0.86 ITGB1 (0.58) ITGB1ITGA4CAPN1ALDH1A1KMT2A
SCHEMBL30158678 0.86 ITGB1 (0.58) ITGB1ITGA4CAPN1ALDH1A1KMT2A
SCHEMBL30158849 0.86 ITGB1 (0.58) ITGB1ITGA4CAPN1ALDH1A1KMT2A

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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