SCHEMBL8524313

SCHEMBL8524313

FC(F)(F)c1ccc(OC2CCC(Nc3ccccc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
LIPE Q05469 8/20 0.49
LIPG Q9Y5X9 1/20 0.43
CCR6 P51684 2/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL23167562 0.78 EPHX2 (0.64) EPHX2LIPELIPGLMNADGAT1
SCHEMBL23167559 0.78 EPHX2 (0.64) EPHX2LIPELIPGLMNADGAT1
SCHEMBL18855867 0.78 LIPE (0.53) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL30805661 0.77 EPHX2 (0.51) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL649932 0.77 EPHX2 (0.51) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL23207707 0.77 EPHX2 (0.51) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL647981 0.77 EPHX2 (0.51) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL30755072 0.77 LIPE (0.52) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL16839482 0.77 LIPE (0.52) EPHX2LIPELIPGHPGDKMT2A
SCHEMBL18195161 0.76 EPHX2 (0.73) EPHX2KMT2ANPC1MAPTHTT

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-1999059979-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed