SCHEMBL27150293

SCHEMBL27150293

Cc1cc(C(=O)O)cnc1OC(C)(C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGER4 P35408 2/20 0.34
P4HA1 P13674 1/20 0.34
MIF P14174 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
RXRA P19793 1/20 0.33
MGAM O43451 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPL P05186 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL27150846 0.86 ATM (0.42) L3MBTL1MRGPRX4KDM4EALDH1A1ALPL
SCHEMBL21078799 0.82 L3MBTL1 (0.42) HCAR2L3MBTL1MRGPRX4CYP2C9CYP2C19
SCHEMBL15350265 0.79 L3MBTL1 (0.42) HCAR2L3MBTL1MRGPRX4CYP2C9CYP2C19
SCHEMBL2715676 0.78 L3MBTL1 (0.54) HCAR2L3MBTL1MRGPRX4CYP2C9CYP2C19
SCHEMBL3430654 0.76 HCAR2 (0.44) HCAR2L3MBTL1CYP2C9CYP2C19P4HA1
SCHEMBL15350077 0.75 L3MBTL1 (0.41) HCAR2L3MBTL1CYP2C9CYP2C19KDM4E
SCHEMBL27149274 0.75 AAK1 (0.38)
SCHEMBL15350967 0.74 SCN9A (0.40) HCAR2L3MBTL1MRGPRX4CYP2C9CYP2C19
SCHEMBL21078902 0.74 AAK1 (0.39) HCAR2L3MBTL1CYP2C9CYP2C19KDM4E
SCHEMBL21078750 0.73 L3MBTL1 (0.40) HCAR2L3MBTL1MRGPRX4CYP2C9CYP2C19

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-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed