SCHEMBL3700669

SCHEMBL3700669

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
GAA P10253 1/20 0.42
NR4A2 P43354 3/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
ALOX5 P09917 2/20 0.41
ALOX5AP P20292 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PTGES O14684 1/20 0.39
RAB9A P51151 2/20 0.39
SRD5A2 P31213 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2 P10415 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL3709692 0.92 MAPT (0.44) NR1H4GAARAB9ANPC1SMN1; SMN2
SCHEMBL3709661 0.84 LPAR1 (0.41) NR1H4LPAR1SRD5A2POLBSMN1; SMN2
SCHEMBL2335539 0.83 LPAR1 (0.45) NR1H4GAARXRARXRBLPAR1
SCHEMBL3702204 0.82 TP53 (0.38) LPAR1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3712524 0.82 LPAR1 (0.42) GAARXRARXRBLPAR1POLB
SCHEMBL3702563 0.82 NR1H4 (0.46) NR1H4ALOX5ALOX5APLPAR1
SCHEMBL2335475 0.82 KDM4E (0.39) LPAR1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3701994 0.81 NR1H4 (0.46) NR1H4NR4A2NR4A1NR4A3RAB9A
SCHEMBL3715778 0.80 KDM4E (0.38) LPAR1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3702315 0.80 LPAR1 (0.40) GAARXRARXRBLPAR1POLB

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed