SCHEMBL46230

SCHEMBL46230

CCOC(=O)CNC(=O)S/C(C=O)=C\c1ccc(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
ITGB2 P05107 2/20 0.46
ITGAM P11215 2/20 0.46
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
ELANE P08246 1/20 0.41
THRB P10828 2/20 0.41
PPID Q08752 1/20 0.40
ALDH1A1 P00352 5/20 0.38
PSMB8 P28062 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL12279902 0.71 MAPT (0.71) MAPTTP53ITGB2ITGAMKDM4E
SCHEMBL46214 0.70 TDP1 (0.52) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL13766486 0.70 MAPT (0.44) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL13087220 0.69 HRH1 (0.49) MAPTTP53ITGB2ITGAMKDM4E
SCHEMBL46709 0.68 XPA (0.51) MAPTKDM4ENPC1RAB9AHPGD
SCHEMBL46558 0.63 ITGB2 (1.00) MAPTITGB2ITGAMNPC1RAB9A
SCHEMBL68989 0.63 HIF1A (0.58) TP53NPC1RAB9AHPGDPOLB
SCHEMBL7409566 0.63 ALDH1A1 (0.53) MAPTTP53ITGB2ITGAMKDM4E
SCHEMBL19265224 0.63 ALOX5 (0.53) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL14667461 0.63 MAPT (0.55) MAPTTP53KDM4ENPC1RAB9A

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-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed