SCHEMBL8086432

SCHEMBL8086432

CCC(C)COc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
ATM Q13315 1/20 0.55
FFAR1 O14842 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MTOR P42345 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8086431 1.00 THRB (0.55) THRBATMFFAR1TAS1R3TAS1R1
SCHEMBL8072161 0.89 THRB (0.53) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL8072163 0.89 THRB (0.53) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL157926 0.86 THRB (0.60) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL3692639 0.86 THRB (0.60) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL8084722 0.86 THRB (0.50) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL8084721 0.86 THRB (0.50) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL8081854 0.86 THRB (0.53) THRBATMKDM4EMAPK1POLB
SCHEMBL8081146 0.85 THRB (0.49) THRBATMTAS1R3TAS1R1KDM4E
SCHEMBL8081148 0.85 THRB (0.49) THRBATMTAS1R3TAS1R1KDM4E

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