SCHEMBL30786206

SCHEMBL30786206

COc1ccc(CSc2ccc(C(=O)O)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
APP P05067 1/20 0.51
DAO P14920 1/20 0.49
FFAR1 O14842 1/20 0.48
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
CHRM1 P11229 1/20 0.44
MCL1 Q07820 3/20 0.43
BCL2L11 O43521 2/20 0.43
BCL2L1 Q07817 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43

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
SCHEMBL30786125 0.90 MAOB (0.53) MAOBMAOAAPPDAOFFAR1
SCHEMBL30786144 0.80 FFAR1 (0.47) DAOFFAR1TP53USP2MEN1
SCHEMBL11826469 0.80 FFAR1 (0.47) DAOFFAR1TP53USP2MEN1
SCHEMBL6997741 0.79 MAOB (0.56) MAOBMAOAAPPDAOHDAC3
SCHEMBL2707629 0.79 FFAR1 (0.68) MAOBMAOAAPPDAOFFAR1
SCHEMBL1051747 0.77 CPS1 (0.63) MEN1KMT2AKDM4ECPS1AKR1C3
SCHEMBL30786121 0.77 TP53 (0.50) FFAR1HDAC3NCOR1HDAC1HDAC2
SCHEMBL30786123 0.77 TP53 (0.50) FFAR1HDAC3NCOR1HDAC1HDAC2
SCHEMBL11817237 0.77 FFAR1 (0.47) DAOFFAR1TP53USP2MEN1
SCHEMBL11817937 0.77 FFAR1 (0.53) MAOBMAOAAPPDAOFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed
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