SCHEMBL30630483

SCHEMBL30630483

COc1cc(-c2cc(C(=O)O)n[nH]2)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 12/20 0.42
▸ DAO P14920 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ NNMT P40261 1/20 0.38
▸ HCAR3 P49019 3/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL24423705 1.00 HCAR2 (0.42) HCAR2DAOMEN1KMT2APOLB
SCHEMBL24423696 0.88 MAPK1 (0.46) MEN1KMT2APOLBKDM4ENNMT
SCHEMBL29584762 0.88 MAPK1 (0.46) MEN1KMT2APOLBKDM4ENNMT
SCHEMBL24424513 0.84 HCAR2 (0.41) HCAR2DAOMEN1KMT2APOLB
SCHEMBL29586549 0.84 HCAR2 (0.41) HCAR2DAOMEN1KMT2APOLB
SCHEMBL24424531 0.82 HCAR2 (0.46) HCAR2DAOMEN1KMT2APOLB
SCHEMBL29585218 0.81 NPC1 (0.40) MEN1KMT2APOLB
SCHEMBL29584681 0.80 GAA (0.40) KMT2A
SCHEMBL24423445 0.80 GAA (0.40) KMT2A
SCHEMBL24423338 0.79 MGLL (0.39) —

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
CN-119156380-A Solid crystalline forms of PPAR-gamma modulators and methods of use thereof 卫材R&D管理有限公司 2024-12-17 — — CN disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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