SCHEMBL30786238

SCHEMBL30786238

COCc1ccc(CSc2cc(F)ccc2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 4/20 0.44
PTPRC P08575 4/20 0.44
FFAR4 Q5NUL3 3/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
FFAR1 O14842 2/20 0.38
PPARD Q03181 1/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
NR4A2 P43354 2/20 0.37
PIK3CD O00329 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30786144 0.87 FFAR1 (0.47) PTPRGPTPRCFFAR1LMNATP53
SCHEMBL11826469 0.87 FFAR1 (0.47) PTPRGPTPRCFFAR1LMNATP53
SCHEMBL11817237 0.76 FFAR1 (0.47) PTPRGFFAR1PPARDLMNATP53
SCHEMBL30786181 0.75 MAPT (0.46) FFAR4FFAR1LMNATP53MEN1
SCHEMBL17080153 0.75 MAPT (0.46) FFAR4FFAR1LMNATP53MEN1
SCHEMBL9952116 0.75 KEAP1 (0.44) PTPRGPTPRCLMNAMEN1KMT2A
SCHEMBL3157407 0.75 KMT2A (0.47) PTPRCMAOBMAOALMNAL3MBTL1
SCHEMBL11823500 0.72 ALDH1A1 (0.46) PTPRGLMNAL3MBTL1MEN1KMT2A
SCHEMBL20644280 0.72 FFAR1 (0.57) PTPRGPTPRCFFAR1L3MBTL1TP53
SCHEMBL19320902 0.72 TTR (0.45) FFAR4MAOBLMNATP53MEN1

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-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed