SCHEMBL18868005

SCHEMBL18868005

CC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)/C=C/c1ccccc1F)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR183 P32249 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
F2R P25116 1/20 0.39
GAA P10253 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
SCHEMBL13894064 0.85 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL18362352 0.79 HDAC6 (0.42) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL18868105 0.79 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL13292407 0.79 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL19158567 0.76 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL4755846 0.76 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13662090 0.76 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL13813568 0.76 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL23979102 0.76 ITGB2 (0.58) ITGB2ICAM1ITGALHDAC6
SCHEMBL12169875 0.75 ITGB2 (0.62) ITGB2ICAM1ITGAL

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
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 EP disclosed