SCHEMBL31290469

SCHEMBL31290469

CC(OC(=O)CCSC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
FFAR1 O14842 1/20 0.40
LPAR1 Q92633 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
OPRM1 P35372 3/20 0.36
SLC6A3 Q01959 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35

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
SCHEMBL5016272 0.86 MAPT (0.54) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL31290475 0.84 CA12 (0.49) MAPTKDM4ETSHRALDH1A1HSD17B10
SCHEMBL11461421 0.84 HCAR2 (0.56) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL31290478 0.82 KDM4E (0.47) MAPTKDM4ETSHRALDH1A1MEN1
SCHEMBL5016273 0.82 MAPT (0.50) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL31290434 0.80 CYSLTR2 (0.50) MAPTFFAR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1054349 0.80 HCAR2 (0.53) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL6242067 0.79 HCAR2 (0.51) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL5693685 0.79 HCAR2 (0.51) MAPTKDM4EHCAR2FFAR1LPAR1
SCHEMBL4251848 0.79 FFAR1 (0.53) MAPTKDM4EHCAR2FFAR1LPAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731739-A1 NEW COMPOUNDS Givaudan SA (CH) 2026-04-29 EP disclosed
WO-2024261201-A1 NEW COMPOUNDS GIVAUDAN SA (CH) 2024-12-26 WO disclosed