SCHEMBL5807275

SCHEMBL5807275

CCOC(OC)Oc1c(Br)cccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.35
SRC P12931 1/20 0.34
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2A6 P11509 1/20 0.31
PRKDC P78527 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL10265246 0.76 LMNA (0.50) CA1CA2LMNASRCTLR2
SCHEMBL22011034 0.76 CA1 (0.43) CA1CA2LMNASRCTLR2
SCHEMBL6389981 0.75 DYRK1A (0.34)
SCHEMBL1293351 0.73 CA1 (0.61) CA1CA2LMNASRCTLR2
SCHEMBL29940732 0.73 CA1 (0.45) CA1CA2LMNASRCTLR2
SCHEMBL1806253 0.73 CA1 (0.45) CA1CA2LMNASRCTLR2
SCHEMBL5807282 0.72 CA1 (0.39) CA1CA2LMNASRCTLR2
SCHEMBL15330946 0.71 CA1 (0.38) CA1CA2LMNASRCTLR2
SCHEMBL25706407 0.70 CA1 (0.43) CA1CA2SRCTLR2ERN1
SCHEMBL3905460 0.70 LMNA (0.40) LMNAALDH1A1

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-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed