SCHEMBL31290475

SCHEMBL31290475

COC(=O)CCSC(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.43
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AKT1 P31749 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL11641195 0.85 SLC6A3 (0.53) CA12CA7CA9CA14MAPT
SCHEMBL31290469 0.84 MAPT (0.45) CA12CA7CA9CA14MAPT
SCHEMBL31290478 0.84 KDM4E (0.47) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL5994740 0.84 ALOX5 (0.50) ALDH1A1LMNA
SCHEMBL31290437 0.83 ALDH1A1 (0.51) CA12CA7CA9CA14KMT2A
SCHEMBL31290434 0.83 CYSLTR2 (0.50) MAPTALDH1A1CYP2C19
SCHEMBL31290509 0.81 MAPT (0.45) MAPTKMT2AALDH1A1SLC6A3TSHR
SCHEMBL11252374 0.81 KMT2A (0.49) CA12CA7CA9CA14MAPT
SCHEMBL31290531 0.81 SLC6A3 (0.55) MAPTKMT2ALMNASLC6A3CYP1A2
SCHEMBL31290476 0.80 CYSLTR2 (0.46) KMT2AALDH1A1LMNATSHRCYP3A4

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