SCHEMBL30954801

SCHEMBL30954801

OCc1c(O)cncc1CCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
DAO P14920 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
P2RX7 Q99572 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
CYP19A1 P11511 2/20 0.35
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34
MPO P05164 1/20 0.34
POLB P06746 1/20 0.34
TRPA1 O75762 1/20 0.33
S1PR1 P21453 1/20 0.33
HTR2C P28335 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
SCHEMBL1503279 0.83 L3MBTL1 (0.36) PTGS1PTGS2DAOCYP11B1CYP11B2
SCHEMBL30954803 0.76 MAPT (0.45) POLB
SCHEMBL30954800 0.76 DAO (0.39) DAO
SCHEMBL29829548 0.72 BRS3 (0.38) PTGS1PTGS2HTR2AKCNH2
SCHEMBL15746728 0.72 BRS3 (0.38) PTGS1PTGS2HTR2AKCNH2
SCHEMBL1503241 0.69 HDAC1 (0.39) PTGS1PTGS2
SCHEMBL15437070 0.69 TAAR1 (0.54) PTGS1PTGS2DAOTAAR1TRPA1
SCHEMBL7470790 0.67 MPO (0.65) PTGS1PTGS2DAOTAAR1MPO
SCHEMBL8431907 0.67 PTGS1 (0.52) PTGS1PTGS2DAOTAAR1SLC5A1
SCHEMBL7437052 0.66 TAAR1 (0.68) PTGS1PTGS2DAOTAAR1

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
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP claimed