SCHEMBL30157714

SCHEMBL30157714

CCOC(=O)C1CCCCN1C(=O)CC1CCC(=O)N1Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ FKBP1A P62942 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL30157339 0.91 KMT2A (0.47) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157970 0.91 KDM4E (0.46) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157620 0.87 KMT2A (0.51) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30158711 0.84 KDM4E (0.46) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157893 0.84 MEN1 (0.49) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL30157627 0.84 ALDH1A1 (0.47) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157716 0.81 P2RX7 (0.46) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157700 0.81 P2RX7 (0.46) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157528 0.81 P2RX7 (0.46) KDM4EALDH1A1TSHRMAPK1RECQL
SCHEMBL30157838 0.76 KMT2A (0.48) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT

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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