SCHEMBL30157737

SCHEMBL30157737

O=C(CC1CCC(=O)N1Cc1ccccc1)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.49
▸ EPHX1 P07099 2/20 0.49
▸ CNR1 P21554 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL30157362 0.86 ALDH1A1 (0.59) ALDH1A1SIGMAR1MAPTHPGDKDM4E
SCHEMBL30158065 0.84 SIGMAR1 (0.53) EPHX2ALDH1A1SIGMAR1KMT2A
SCHEMBL30157628 0.84 EPHX2 (0.44) EPHX2EPHX1MEN1KMT2A
SCHEMBL30157712 0.82 KMT2A (0.57) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL30157807 0.82 TSHR (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31706028 0.81 ITGB1 (0.47) —
SCHEMBL30157407 0.81 BRD4 (0.47) KMT2A
SCHEMBL30157864 0.81 SIGMAR1 (0.54) ALDH1A1SIGMAR1KMT2A
SCHEMBL21183549 0.80 EPHX2 (0.50) EPHX2ALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL30157559 0.80 EPHX2 (0.54) EPHX2ALDH1A1HPGDKDM4E

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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