SCHEMBL30758641

SCHEMBL30758641

O=Cc1cccc(Oc2cccc(C(F)(F)F)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LOXL2 Q9Y4K0 5/20 0.43
LOX P28300 2/20 0.43
SCN9A Q15858 2/20 0.43
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 2/20 0.42
MGLL Q99685 1/20 0.41
SRC P12931 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL20490853 1.00 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1LOXL2LOX
SCHEMBL9106409 0.85 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1LOXL2LOX
SCHEMBL28582634 0.81 LOXL2 (0.70) LOXL2LOX
SCHEMBL875110 0.80 ALOX5AP (0.43) ALDH1A1POLBL3MBTL1SCN9ASCN7A
SCHEMBL15871857 0.78 LOXL2 (0.55) ALDH1A1LOXL2LOXSCN9ASCN7A
SCHEMBL18003561 0.77 MAOA (0.48) ALDH1A1POLBL3MBTL1MAPTMAOA
SCHEMBL875626 0.76 SCN9A (0.39) ALDH1A1POLBL3MBTL1SCN9AMAPT
SCHEMBL1011342 0.75 ALDH1A1 (0.72) ALDH1A1POLBL3MBTL1CYP2C9CYP2C19
SCHEMBL18003267 0.75 GPR52 (0.40) ALDH1A1POLBL3MBTL1MAOAMAOB
SCHEMBL417140 0.74 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1MAPTSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736178-B Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2025-03-21 CN disclosed
CN-117736178-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-03-22 CN disclosed
CN-117510468-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-02-06 CN disclosed
CN-117466868-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-01-30 CN disclosed