SCHEMBL4256993

SCHEMBL4256993

O[C@H](CC[C]1CCCC1)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.47
MMP13 P45452 4/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
DPP4 P27487 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER2 P43116 1/20 0.44
TSHR P16473 1/20 0.41
DHFR P00374 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL4799370 0.84 MMP2 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28743244 0.78 MAOA (0.52)
SCHEMBL4256995 0.77 LTB4R (0.53) PTGER1PTGFRPTGER2
SCHEMBL18063343 0.77 TDP1 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL18063390 0.76 PTGFR (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL2921490 0.76 TRPA1 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL18863862 0.76 TDP1 (0.56) MMP12MMP13MMP2MMP9MMP14
SCHEMBL31354792 0.76 LTB4R (0.52) PTGER1PTGFRPTGER2
SCHEMBL26970639 0.76 MAOA (0.50)
SCHEMBL14968476 0.75 TSHR (0.49) MMP12MMP13MMP2MMP9MMP14

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-20090035279-A1 GENETIC VARIANTS ON CHR 15Q24 AS MARKERS FOR USE IN DIAGNOSIS, PROGNOSIS AND TREATMENT OF EXFOLIATION SYNDROME AND GLAUCOMA DECODE GENETICS EFH (IS) 2009-02-05 US disclosed