SCHEMBL8080653

SCHEMBL8080653

CCC(C)COc1cc(C(=O)O)cc(OCC(C)CC)c1OCC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 3/20 0.42
FFAR1 O14842 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
TPMT P51580 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
SCHEMBL8080300 0.88 POLB (0.41) MAPTPOLBALOX15HTTTSHR
SCHEMBL8072304 0.85 PLA2G2A (0.43) POLBALOX15HTTTSHR
SCHEMBL8080312 0.84 PLA2G2A (0.46) POLBALOX15HTTTSHR
SCHEMBL8086406 0.83 TSHR (0.56) MAPTPOLBHTTTSHRMAPK1
SCHEMBL8086405 0.83 TSHR (0.56) MAPTPOLBHTTTSHRMAPK1
SCHEMBL8072295 0.81 THRB (0.54) MAPTTSHRFFAR1TDP1RXRA
Hydrochloric Acid SCHEMBL8084683 0.81 TSHR (0.55) MAPTPOLBHTTTSHRMAPK1
Hydrochloric Acid SCHEMBL8084681 0.81 TSHR (0.55) MAPTPOLBHTTTSHRMAPK1
SCHEMBL15955914 0.80 MAPT (0.53) MAPTPOLBFFAR1MAPK1
SCHEMBL15955915 0.80 MAPT (0.53) MAPTPOLBFFAR1MAPK1

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