SCHEMBL30158007

SCHEMBL30158007

COC(=O)[C@H](CC(C)C)NC(=O)CC1CCC(=O)N1Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CTSL P07711 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ TAS1R3 Q7RTX0 5/20 0.39
▸ TAS1R1 Q7RTX1 5/20 0.39
▸ NOS3 P29474 3/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL30158032 0.88 ITGB1 (0.49) ITGB1ITGA4GAA
SCHEMBL30158730 0.87 ITGB1 (0.42) KDM4EALDH1A1MAPTCTSLITGB1
SCHEMBL30158513 0.81 KMT2A (0.49) KDM4EALDH1A1MAPTKMT2AITGB1
SCHEMBL30157641 0.80 SLC6A4 (0.48) KDM4EALDH1A1KMT2AITGB1ITGA4
SCHEMBL30158819 0.79 KMT2A (0.43) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL31706974 0.78 ITGB1 (0.47) CTSLITGB1ITGA4
SCHEMBL30157709 0.78 ITGB1 (0.51) ITGB1ITGA4GAA
SCHEMBL30157731 0.78 KMT2A (0.42) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL31706017 0.77 P2RX7 (0.46) CTSLITGB1ITGA4USP2
SCHEMBL31705678 0.77 KMT2A (0.38) KDM4EALDH1A1MAPTCTSLKMT2A

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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