SCHEMBL1679090

SCHEMBL1679090

CC(C(=O)O)c1cccc(Cl)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.56
PTGS2 P35354 3/20 0.44
CFD P00746 1/20 0.43
APP P05067 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6491103 0.83 CES2 (0.51) CXCL8PTGS2PSEN1PSEN2APH1B
SCHEMBL15568192 0.81 CXCL8 (0.59) CXCL8PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL15568736 0.81 CXCL8 (0.59) CXCL8PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL2111867 0.81 CXCL8 (0.59) CXCL8PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL29718684 0.81 CXCL8 (0.63) CXCL8PTGS2MEN1KMT2AMMP1
SCHEMBL5672222 0.81 CXCL8 (0.63) CXCL8PTGS2MEN1KMT2AMMP1
SCHEMBL663906 0.81 CXCL8 (0.63) CXCL8PTGS2MEN1KMT2AMMP1
SCHEMBL4659044 0.81 CXCL8 (0.63) CXCL8PTGS2MEN1KMT2AMMP1
SCHEMBL24311424 0.80 CFD (0.46) CXCL8CFDNOTUMCYP1A2CYP3A4
SCHEMBL23972297 0.80 FABP4 (0.47) CXCL8CFDNOTUMMEN1KMT2A

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
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed