SCHEMBL3714488

SCHEMBL3714488

CCOC(=O)Cc1cncc(-c2cccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAOB P27338 2/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL3705512 0.94 LPAR1 (0.39) LPAR1LPAR2LPAR3CYP11B1CYP11B2
SCHEMBL3707844 0.93 L3MBTL1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3709586 0.90 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2338062 0.88 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3707271 0.87 PDE4B (0.38) CYP2C9CYP2C19
SCHEMBL3707597 0.87 LPAR1 (0.46) LPAR1LPAR2LPAR3CYP11B1CYP11B2
SCHEMBL3706374 0.86 MDM2 (0.39) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3708660 0.86 LPAR1 (0.40) LPAR1LPAR2LPAR3MAPT
SCHEMBL3702769 0.85 S1PR1 (0.38) CYP11B1CYP11B2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3713874 0.85 L3MBTL1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2

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