SCHEMBL31228112

SCHEMBL31228112

O=C(O)c1cc(OCc2ccc(-c3ccc(F)cc3)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.67
MAOB P27338 4/20 0.61
MAOA P21397 2/20 0.61
PPARA Q07869 2/20 0.57
STING1 Q86WV6 1/20 0.57
NR4A2 P43354 2/20 0.57
SLC16A3 O15427 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.52
ANO1 Q5XXA6 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3296065 0.86 MAOB (0.76) MCL1MAOBMAOAPPARANR4A2
SCHEMBL6306287 0.84 MAOB (0.65) MAOBMAOAPPARANR4A2SLC16A3
SCHEMBL754206 0.83 MAOB (0.82) MAOBMAOANR4A2
SCHEMBL14770775 0.83 MCL1 (0.62) MCL1MAOBMAOA
SCHEMBL343794 0.83 MCL1 (0.78) MCL1MAOBMAOANR4A2SLC16A3
SCHEMBL14774262 0.82 RAB9A (0.61) MCL1MAOBMAOAPPARAMRGPRX4
SCHEMBL16704452 0.82 MAOB (0.60) MCL1MAOBMAOA
SCHEMBL13973969 0.82 MCL1 (0.60) MCL1MAOBMAOA
SCHEMBL13977571 0.82 RXRA (0.61) MCL1MAOBMAOA
SCHEMBL27771284 0.82 MAOB (0.66) MCL1MAOBMAOAPPARANR4A2

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
WO-2024226603-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-10-31 WO disclosed