SCHEMBL30157530

SCHEMBL30157530

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCCN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ USP2 O75604 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL30157989 0.92 ALDH1A1 (0.61) ALDH1A1USP2KMT2ASMN1; SMN2KCNH2
SCHEMBL30157863 0.89 ALDH1A1 (0.62) ALDH1A1USP2KMT2AMEN1GAA
SCHEMBL30157600 0.83 KMT2A (0.51) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL30157628 0.81 EPHX2 (0.44) KMT2AMEN1TSHRHDAC1HDAC2
SCHEMBL30157519 0.80 CNR2 (0.45) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL30157660 0.80 KMT2A (0.49) ALDH1A1KMT2AGAASMN1; SMN2TSHR
SCHEMBL30157949 0.79 CNR2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL30157816 0.79 POLB (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30158670 0.79 PTGER2 (0.49) ALDH1A1KMT2AMEN1HDAC1HDAC2
SCHEMBL30157915 0.78 GAA (0.60) ALDH1A1KMT2AMEN1GAACYP2D6

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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