SCHEMBL26640075

SCHEMBL26640075

CC(CC(=O)O)C(C)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CPA1 P15085 2/20 0.43
▸ CPB1 P15086 1/20 0.43

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
SCHEMBL26640069 1.00 SIGMAR1 (0.49) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL27605968 0.85 CYP2C19 (0.55) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL4849306 0.82 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL4855673 0.82 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL2852187 0.82 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL30642175 0.81 CA12 (0.46) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL20640637 0.80 TRPA1 (0.55) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL26640103 0.80 SIGMAR1 (0.42) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL26640094 0.80 SIGMAR1 (0.42) SIGMAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL4846816 0.79 ADAMTS4 (0.49) SIGMAR1KMT2AALDH1A1MEN1MAPT

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-2023220715-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-11-16 — — WO disclosed
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