SCHEMBL8086418

SCHEMBL8086418

CCC(C)Oc1cc(C(=O)O)cc(OC(C)CC)c1OC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TPMT P51580 1/20 0.41
XDH P47989 3/20 0.40
PTGS2 P35354 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 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
SCHEMBL8086426 0.94 TPMT (0.51) MAPK1CA12CA1CA2CA3
SCHEMBL8080285 0.90 MAPK1 (0.54) MAPK1CA12CA1CA2CA3
SCHEMBL28134645 0.90 TPMT (0.54) MAPK1CA12CA1CA2CA3
SCHEMBL8084800 0.87 CA12 (0.40) MAPK1CA12CA1CA2CA3
SCHEMBL8081214 0.84 PLA2G2A (0.42) CA12CA1CA2CA3PKM
SCHEMBL8072347 0.83 PLA2G2A (0.44) CA12CA1CA2CA3PKM
SCHEMBL8080330 0.82 PLA2G2A (0.47) TSHRMAPT
SCHEMBL8082249 0.82 TPMT (0.49) MAPK1CA12CA1CA2CA3
SCHEMBL8081111 0.82 PLA2G2A (0.47) TSHRMAPT
SCHEMBL4679626 0.81 MAPK1 (0.40) MAPK1TPMTXDHPTGS2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed