SCHEMBL31377015

SCHEMBL31377015

CCc1ccc(CC2SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)c(C)c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
PTPN12 Q05209 3/20 0.44
GPR35 Q9HC97 3/20 0.44
PTPN22 Q9Y2R2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PTPN7 P35236 2/20 0.44
RAB9A P51151 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MCL1 Q07820 2/20 0.41
PPARG P37231 4/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 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
SCHEMBL31376924 0.94 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376938 0.91 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376957 0.91 PTPN12 (0.48) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376958 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376952 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376974 0.89 POLB (0.41) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376967 0.89 PTPN12 (0.46) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31377008 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376927 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAPTPN12
SCHEMBL31376988 0.87 PPARG (0.41) ALDH1A1MEN1KMT2AGAAPTPN12

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-2025064325-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2025-03-27 WO disclosed