SCHEMBL852769

SCHEMBL852769

CCOC(=O)CC(c1ccccc1)c1c[nH]c2ccc(OCCONC(=N)N)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
PLA2G2A P14555 2/20 0.41
MGAM O43451 7/20 0.40
GAA P10253 7/20 0.40
SI P14410 7/20 0.40
MGAM2 Q2M2H8 7/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL852998 0.89 MGAM (0.43) LTA4HPLA2G2AMGAMGAASI
SCHEMBL853227 0.87 MGAM (0.44) LTA4HPLA2G2AMGAMGAASI
SCHEMBL852763 0.85 MGAM (0.45) LTA4HPLA2G2AMGAMGAASI
SCHEMBL853781 0.79 ITGB3 (0.51) TRPM8MTNR1AMTNR1B
SCHEMBL7364903 0.78 MGAM (0.44) PLA2G2AMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL6696707 0.78 MGAM (0.43) PLA2G2AMGAMGAASIMGAM2
SCHEMBL6162618 0.77 MGAM (0.45) MGAMGAASIMGAM2
SCHEMBL853940 0.77 GAA (0.49) MGAMGAASIMGAM2KMT2A
SCHEMBL6693172 0.77 GABRA1 (0.58) MGAMGAASIMGAM2THRA
SCHEMBL6165742 0.77 MGAM (0.44) MGAMGAASIMGAM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed