SCHEMBL24467293

SCHEMBL24467293

COc1cc(C)c(CCC=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TRAP1 Q12931 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18830589 0.85 HTR2A (0.37) TAAR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18928321 0.81 MAPT (0.45) TAAR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13048381 0.81 NPSR1 (0.43) ALDH1A1NPSR1
SCHEMBL20161948 0.80 GAA (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12466982 0.77 MAPT (0.53) TAAR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6556289 0.76 CYP3A4 (0.53) TAAR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4396090 0.76 TAAR1 (0.79) TAAR1MAPTSMN1; SMN2
SCHEMBL13678722 0.76 APLNR (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19932825 0.76 TAAR1 (0.52) TAAR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22381403 0.75 TAAR1 (0.55) TAAR1MAPTSMN1; SMN2MEN1KMT2A

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
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed