SCHEMBL3705375

SCHEMBL3705375

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Oc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.35
P2RX3 P56373 5/20 0.35
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
ESR1 P03372 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
VDR P11473 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL3712290 0.92 NR3C1 (0.38) TP53MAPTP2RX3PTGS2KDM4E
SCHEMBL3717698 0.91 P2RX3 (0.38) F10P2RX3PTGS2KDM4ESMN1; SMN2
SCHEMBL3705145 0.89 TLR7 (0.35) TP53MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL3702204 0.88 TP53 (0.38) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1247798 0.88 KDM4E (0.37) TP53MAPTF10P2RX3KDM4E
SCHEMBL3709661 0.84 LPAR1 (0.41) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3702549 0.83 LPAR1 (0.39) P2RX3PTGS2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2335475 0.82 KDM4E (0.39) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3701871 0.82 KDM4E (0.34) TP53MAPTF10KDM4ESMN1; SMN2
SCHEMBL3715778 0.81 KDM4E (0.38) TP53MAPTKDM4ESMN1; SMN2ALDH1A1

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