SCHEMBL30157955

SCHEMBL30157955

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)N2CCSCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ PTGER2 P43116 3/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PTGDR Q13258 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 6/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 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
SCHEMBL30157519 0.90 CNR2 (0.45) POLBPTGER2PTGER3CNR2PTGDR
SCHEMBL30157949 0.89 CNR2 (0.44) POLBPTGER2PTGER3CNR2PTGDR
SCHEMBL30157633 0.82 ALDH1A1 (0.43) PTGER2PTGER3PTGDRTSHRKMT2A
SCHEMBL30158670 0.82 PTGER2 (0.49) POLBPTGER2PTGER3PTGDRKMT2A
SCHEMBL30157934 0.80 KDM4E (0.51) KMT2ALMNAHTTNPSR1HSD17B10
SCHEMBL30157829 0.78 KMT2A (0.51) KMT2ALMNAMAPTALDH1A1GAA
SCHEMBL30157518 0.78 KMT2A (0.51) KMT2ALMNAMAPTALDH1A1GAA
SCHEMBL30157977 0.78 KMT2A (0.51) KMT2ALMNAMAPTALDH1A1GAA
SCHEMBL30157628 0.75 EPHX2 (0.44) POLBPTGER2PTGER3TSHRKMT2A
SCHEMBL30157530 0.73 ALDH1A1 (0.51) TSHRKMT2AUSP2MEN1ALDH1A1

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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