SCHEMBL30158660

SCHEMBL30158660

CC[C@H](C)[C@H](CC(=O)O)NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL30158494 1.00 GFER (0.38) GFERKDM4EALDH1A1CYP3A4RECQL
SCHEMBL30158700 0.88 KMT2A (0.43) GFERKDM4EALDH1A1CYP3A4RECQL
SCHEMBL30158650 0.85 P2RX7 (0.37) GFERCYP3A4KMT2AMEN1P2RX7
SCHEMBL30158630 0.84 KMT2A (0.37) KDM4EALDH1A1KMT2AITGB1ITGA4
SCHEMBL30158632 0.81 ITGB1 (0.43) KDM4EALDH1A1CYP3A4RECQLTDP1
SCHEMBL30158638 0.81 P2RX7 (0.48) P2RX7
SCHEMBL30158536 0.81 P2RX7 (0.48) P2RX7
SCHEMBL30158924 0.81 ITGB1 (0.52) ALDH1A1ITGB1ITGA4
SCHEMBL30158626 0.80 ALDH1A1 (0.49) GFERKDM4EALDH1A1CYP3A4RECQL
SCHEMBL30157407 0.78 BRD4 (0.47) GFERCYP3A4KMT2A

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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