SCHEMBL3706624

SCHEMBL3706624

CCOC(=O)C1CC=C(c2cccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
SCN5A Q14524 2/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 2/20 0.37
RORC P51449 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
FTO Q9C0B1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL3710136 0.94 LPAR1 (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3707275 0.92 LPAR1 (0.40) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3706752 0.86 LPAR1 (0.45) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3703582 0.85 LPAR1 (0.55) LPAR1LPAR3LPAR2RORCMAPT
SCHEMBL3700498 0.84 SCN9A (0.40) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL1246383 0.80 SCN9A (0.51) SCN9ASCN5ARORCMAPTKDM4E
SCHEMBL3712822 0.80 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3713322 0.79 LPAR1 (0.47) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3707845 0.79 LPAR1 (0.46) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3704851 0.79 LPAR1 (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2

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