SCHEMBL30211112

SCHEMBL30211112

CCOP(=O)(CCc1cccc(OCc2ccccc2)c1)OCC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
BCHE P06276 7/20 0.50
MAOB P27338 3/20 0.50
CYP2D6 P10635 1/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
MGLL Q99685 1/20 0.48
FFAR1 O14842 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL24646015 1.00 CYP4F2 (0.55) CYP4F2CYP4A11BCHEMAOBCYP2D6
SCHEMBL1011307 0.86 MAOB (0.53) CYP4F2CYP4A11BCHEMAOBCYP2D6
SCHEMBL5248630 0.81 CETP (0.47)
SCHEMBL4182564 0.81 BCHE (0.53) CYP4F2CYP4A11BCHEMAOBCYP2D6
SCHEMBL24646818 0.80 MTNR1A (0.47)
SCHEMBL20582499 0.78 MAOB (0.56) CYP4F2CYP4A11BCHEMAOBLTB4R
SCHEMBL327570 0.78 CYP4F2 (0.70) CYP4F2CYP4A11BCHEMAOBMGLL
SCHEMBL24646125 0.77 BCHE (0.50) BCHEMAOBMAOA
SCHEMBL24646070 0.77 BCHE (0.50) BCHEMAOBMAOA
SCHEMBL28969169 0.77 BCHE (0.50) BCHEMAOBMAOA

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-115667277-A GPR40 agonists 卡尔优普公司 2023-01-31 CN disclosed