SCHEMBL31069006

SCHEMBL31069006

COC(=O)c1cc(C(=O)O)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.40
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 2/20 0.38
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 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
SCHEMBL26101991 1.00 KDM4E (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL6237650 0.88 POLB (0.43) KDM4EMAPK1L3MBTL1ALDH1A1CYP2C9
SCHEMBL18584731 0.84 HPGDS (0.43) KDM4EMAPK1L3MBTL1ALDH1A1HCAR3
SCHEMBL26102920 0.81 ATR (0.39) KDM4EMAPK1L3MBTL1ALDH1A1GAA
SCHEMBL30647070 0.80 HPGDS (0.46) KDM4EL3MBTL1CYP2C9CYP2C19HCAR3
SCHEMBL18584821 0.80 HPGDS (0.46) KDM4EL3MBTL1CYP2C9CYP2C19HCAR3
SCHEMBL30389862 0.80 KDM4E (0.36) KDM4EMAPK1L3MBTL1ALDH1A1GAA
SCHEMBL28848352 0.80 KDM4E (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL22959274 0.79 CA12 (0.49) KDM4EALDH1A1GAAGLACYP2C9
SCHEMBL5781494 0.79 ATM (0.47) KDM4EALDH1A1GAAGLAATM

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
CN-118510758-A RXFP1 agonists 百时美施贵宝公司 2024-08-16 CN disclosed