SCHEMBL989268

SCHEMBL989268

N#Cc1cc(F)cc(-c2cc(CN(CCO)S(=O)(=O)c3ccc(F)cc3)c(Cl)cc2OCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.40
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PTPN1 P18031 2/20 0.36
NR1H2 P55055 1/20 0.35
PTGER2 P43116 1/20 0.34
VCAM1 P19320 1/20 0.34
KMT2A Q03164 1/20 0.34
MLNR O43193 1/20 0.34
CXCR3 P49682 1/20 0.33

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
SCHEMBL2773406 0.88 PTGDR2 (0.40) PTGDR2PTGER2
SCHEMBL12948911 0.88 PTGDR2 (0.41) PTGDR2MMP1MMP7MMP8MMP12
SCHEMBL990553 0.86 PTGDR2 (0.46) PTGDR2PTPN1KMT2ACXCR3
SCHEMBL990116 0.84 PTPN1 (0.43) PTGDR2PTPN1PTGER2CXCR3
SCHEMBL2773728 0.79 PTGDR2 (0.41) PTGDR2PTGER2KMT2A
SCHEMBL2772337 0.79 PTGDR2 (0.52) PTGDR2PTPN1PTGER2
SCHEMBL2773170 0.78 PTGDR2 (0.42) PTGDR2PTGER2
SCHEMBL988505 0.77 PTGDR2 (0.52) PTGDR2KMT2ACXCR3
SCHEMBL988190 0.77 MLNR (0.42) PTGDR2PTPN1KMT2AMLNRCXCR3
SCHEMBL2773759 0.77 PTGDR2 (0.43) PTGDR2PTGER2

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-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO claimed