SCHEMBL8080285

SCHEMBL8080285

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
TPMT P51580 5/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
KMT2A Q03164 3/20 0.45
PTGS2 P35354 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TSHR P16473 1/20 0.43

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 0.91 TPMT (0.51) MAPK1TPMTCA12CA1CA2
SCHEMBL8086418 0.90 MAPK1 (0.42) MAPK1TPMTCA12CA1CA2
SCHEMBL8080435 0.88 MAPK1 (0.48) MAPK1TPMTCA12CA1CA2
SCHEMBL28134645 0.87 TPMT (0.54) MAPK1TPMTCA12CA1CA2
SCHEMBL1458091 0.83 TPMT (0.56) MAPK1TPMTCA12CA1CA2
SCHEMBL22064771 0.81 CA12 (0.65) MAPK1TPMTCA12CA1CA2
SCHEMBL18691517 0.81 CA12 (0.65) MAPK1TPMTCA12CA1CA2
SCHEMBL8082249 0.79 TPMT (0.49) MAPK1TPMTCA12CA1CA2
SCHEMBL8072162 0.79 CA12 (0.51) MAPK1TPMTCA12CA1CA2
SCHEMBL8084800 0.77 CA12 (0.40) MAPK1TPMTCA12CA1CA2

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