SCHEMBL9621387

SCHEMBL9621387

OP(O)(O)(c1ccccc1)c1ccc(Cl)cc1-c1ccccc1.OP(O)Oc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A3 Q01959 1/20 0.32
CNR1 P21554 2/20 0.32
PTGER1 P34995 2/20 0.31
PLA2G1B P04054 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9621000 0.79 PTGDR2 (0.42) PTGDR2CNR1HTT
SCHEMBL10598569 0.77 FABP4 (0.36) PTGDR2SLC6A3CNR1PTGER1CYP2C9
SCHEMBL675482 0.76 HNF4A (0.38) L3MBTL1
SCHEMBL29924556 0.76 HNF4A (0.38) L3MBTL1
SCHEMBL9621386 0.75 SLC6A3 (0.33) PTGDR2SLC6A3HTTCYP2C9
SCHEMBL38662783 0.69 PDCD1 (0.35) HTT
SCHEMBL28420810 0.67 HNF4A (0.38) L3MBTL1
SCHEMBL4965147 0.67 SYK (0.37) HTTL3MBTL1
SCHEMBL31186148 0.66 ALDH1A1 (0.33) L3MBTL1
SCHEMBL11151198 0.65 CYP1A2 (0.61) SLC6A3HTTL3MBTL1CYP2C9

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-0306094-B1 PROCESS FOR THE HYDROFORMYLATION OF CERTAIN ACRYLIC ACID DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-29 EP disclosed