SCHEMBL30157617

SCHEMBL30157617

C[C@H](NC(=O)CC1CCC(=O)N1Cc1ccc(C(C)(C)C)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ PTGER2 P43116 2/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL30157687 1.00 KMT2A (0.39) KMT2APTGER2PTGER3MCHR1KDM4E
SCHEMBL30157628 0.87 EPHX2 (0.44) KMT2APTGER2PTGER3HDAC1HDAC2
SCHEMBL30157414 0.83 ALDH1A1 (0.43) KMT2APTGER2PTGER3KDM4EALDH1A1
SCHEMBL30158670 0.79 PTGER2 (0.49) KMT2APTGER2PTGER3KDM4EALDH1A1
SCHEMBL30157782 0.78 KMT2A (0.56) KMT2AKDM4EALDH1A1MAPT
SCHEMBL30157949 0.77 CNR2 (0.44) KMT2APTGER2PTGER3ALDH1A1MAPT
SCHEMBL30157530 0.77 ALDH1A1 (0.51) KMT2AALDH1A1HDAC1HDAC2MEN1
SCHEMBL30157660 0.76 KMT2A (0.49) KMT2AALDH1A1HDAC1HDAC2P2RX7
SCHEMBL30157519 0.76 CNR2 (0.45) KMT2APTGER2PTGER3ALDH1A1MAPT
SCHEMBL30158819 0.74 KMT2A (0.43) KMT2AKDM4EALDH1A1MAPTHDAC1

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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