SCHEMBL13869719

SCHEMBL13869719

COC(=O)c1ccccc1COc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MAPK1 P28482 1/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
FFAR1 O14842 8/20 0.47
FFAR4 Q5NUL3 6/20 0.47
AKR1B1 P15121 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9843420 0.84 FFAR1 (0.64) FFAR1FFAR4AKR1B1
SCHEMBL4630671 0.83 LTB4R2 (0.55) SMN1; SMN2LTB4R2FFAR1FFAR4
SCHEMBL3993606 0.81 CDK8 (0.56) KMT2ARAB9ANPC1LTB4RLTB4R2
SCHEMBL9218201 0.80 FFAR1 (0.50) SMN1; SMN2KDM4EFFAR1FFAR4AKR1B1
SCHEMBL3998062 0.80 FFAR1 (0.52) KMT2ARAB9ANPC1SMN1; SMN2LTB4R
SCHEMBL3997587 0.79 FFAR1 (0.50) SMN1; SMN2KDM4EFFAR1FFAR4AKR1B1
SCHEMBL7442885 0.79 KMT2A (0.77) KMT2AMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL4630463 0.79 LPAR1 (0.45) MAPK1NPC1SMN1; SMN2FFAR1FFAR4
SCHEMBL3996108 0.79 FFAR1 (0.53) KMT2ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL13869734 0.78 FFAR1 (0.52) RAB9ASMN1; SMN2KDM4EFFAR1FFAR4

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
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed