SCHEMBL29679182

SCHEMBL29679182

CC(C)CCn1sc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.63
KAT2A Q92830 3/20 0.63
KAT2B Q92831 3/20 0.63
FAAH O00519 1/20 0.61
MGLL Q99685 1/20 0.61

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
SCHEMBL3142380 1.00 CASP3 (0.63) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL15423262 0.89 FAAH (0.69) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL28455721 0.88 FAAH (0.72) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL30434016 0.88 FAAH (0.72) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL11278746 0.84 CASP3 (0.74) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL29679134 0.83 CASP3 (0.67) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL1123439 0.83 CASP3 (0.67) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL358740 0.81 FAAH (0.77) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL24836231 0.81 FAAH (0.81) CASP3KAT2AKAT2BFAAHMGLL
SCHEMBL24836229 0.81 FAAH (0.76) CASP3KAT2AKAT2BFAAHMGLL

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-2022131253-A1 NON-AQUEOUS SECONDARY BATTERY POLYMER COMPOSITION AND NON-AQUEOUS SECONDARY BATTERY 旭化成株式会社 2022-06-23 WO disclosed