SCHEMBL8086389

SCHEMBL8086389

CC(C)COc1cccc(C(=O)O)c1OCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
FABP3 P05413 2/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
DHODH Q02127 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
PTGER1 P34995 1/20 0.41
HTT P42858 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL8545823 0.89 PTGER1 (0.55) MAPK1FABP3FABP4FABP5ALDH1A1
SCHEMBL477006 0.85 ALDH1A1 (0.59) ALDH1A1TSHRDHODHKDM4EHSD17B10
SCHEMBL27248901 0.84 ALDH1A1 (0.57) MAPK1ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL7997485 0.84 PTGER1 (0.49) ALDH1A1TSHRDHODHTP53KDM4E
SCHEMBL8417183 0.84 TP53 (0.50) MAPK1ALDH1A1TSHRDHODHTP53
Bicarbonate SCHEMBL236893 0.83 ALDH1A1 (0.57) ALDH1A1TSHRDHODHKDM4EHSD17B10
SCHEMBL17799583 0.83 ALDH1A1 (0.57) ALDH1A1TSHRDHODHKDM4EHSD17B10
Bicarbonate SCHEMBL20694841 0.83 ALDH1A1 (0.57) ALDH1A1TSHRDHODHKDM4EHSD17B10
Bicarbonate SCHEMBL29943829 0.83 ALDH1A1 (0.57) ALDH1A1TSHRDHODHKDM4EHSD17B10
Benzene SCHEMBL28043964 0.83 ALDH1A1 (0.57) ALDH1A1TSHRDHODHKDM4EHSD17B10

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