SCHEMBL30157949

SCHEMBL30157949

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)N2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MITF O75030 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PREP P48147 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PTGER2 P43116 2/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TSHR P16473 1/20 0.38

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 0.99 CNR2 (0.45) CNR2SMN1; SMN2MITFKMT2AALDH1A1
SCHEMBL30157955 0.89 POLB (0.39) CNR2SMN1; SMN2MITFKMT2AALDH1A1
SCHEMBL30157829 0.86 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL30157977 0.86 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL30157518 0.86 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL30157633 0.84 ALDH1A1 (0.43) SMN1; SMN2KMT2AALDH1A1MEN1HTT
SCHEMBL30158670 0.83 PTGER2 (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL30157934 0.82 KDM4E (0.51) SMN1; SMN2KMT2AALDH1A1MEN1HTT
SCHEMBL30157530 0.79 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1MEN1TSHR
SCHEMBL30157628 0.79 EPHX2 (0.44) KMT2AMEN1NPC1RAB9APTGER2

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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