SCHEMBL7686564

SCHEMBL7686564

O=C(O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.43
LPAR5 Q9H1C0 11/20 0.43
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 1/20 0.36
PLA2G4B P0C869 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6488702 0.94 LPAR1 (0.39) LPAR1LPAR5METAXLMERTK
SCHEMBL7692913 0.93 LPAR1 (0.39) LPAR1LPAR5METALDH1A1CYP1A2
SCHEMBL7692473 0.92 MET (0.38) LPAR1LPAR5METAXLMERTK
SCHEMBL7693432 0.91 MET (0.39) LPAR1LPAR5METAXLMERTK
SCHEMBL6478360 0.91 MAPT (0.39) LPAR1LPAR5METAXLALDH1A1
SCHEMBL7687505 0.91 MET (0.38) LPAR1LPAR5METAXLMERTK
SCHEMBL7694588 0.91 SPHK2 (0.38) LPAR1LPAR5METAXLMERTK
SCHEMBL7686803 0.91 ALDH1A1 (0.39) LPAR1LPAR5METALDH1A1CYP1A2
SCHEMBL7693355 0.90 MEN1 (0.37) LPAR1LPAR5METAXLMERTK
SCHEMBL7689561 0.90 MET (0.40) LPAR1LPAR5METAXLMERTK

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed