SCHEMBL3713874

SCHEMBL3713874

CCOC(=O)Cc1ccc(F)c(-c2cccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARD Q03181 4/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL3712288 0.94 PPARD (0.39) PPARD
SCHEMBL2334024 0.94 L3MBTL1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3707844 0.90 L3MBTL1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3713473 0.90 PPARD (0.39) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3709586 0.89 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3717656 0.88 KMT2A (0.34) L3MBTL1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2338544 0.88 L3MBTL1 (0.35) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2336523 0.87 LPAR1 (0.41) PPARD
SCHEMBL3704850 0.87 GPBAR1 (0.34) HTTNPC1RAB9AALDH1A1TSHR
SCHEMBL2338062 0.86 LPAR1 (0.38) 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