SCHEMBL9513316

SCHEMBL9513316

CCC(C)Cc1ccc(OC(=O)c2ccc(-c3ccc(CC(C)CC)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 5/20 0.47
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
PRSS1 P07477 3/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS15 P98073 1/20 0.41
CTSL P07711 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ACR P10323 1/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL20594558 1.00 TP53 (0.48) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL18328861 0.97 TP53 (0.49) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL269561 0.95 SMN1; SMN2 (0.48) TP53MAPTTHRBSMN1; SMN2PPARG
SCHEMBL21096326 0.95 PRSS1 (0.46) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL12618162 0.95 TP53 (0.44) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL23520497 0.95 PDCD1 (0.49) MAPTPPARDPPARAPPARGCTSL
SCHEMBL15583777 0.95 SMN1; SMN2 (0.48) TP53MAPTTHRBSMN1; SMN2PPARG
SCHEMBL16604335 0.95 TP53 (0.44) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL12154313 0.95 PRSS1 (0.46) TP53MAPTTHRBSMN1; SMN2PPARD
SCHEMBL10745842 0.95 PRSS1 (0.46) TP53MAPTTHRBSMN1; SMN2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57063380-A None JP disclosed
JP-57174375-A None JP disclosed
JP-57174374-A None JP disclosed
EP-0386198-B1 THERMOCHROMIC MIXTURES MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed
WO-1990002161-A1 THERMOCHROMIC MIXTURES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-03-08 WO disclosed
US-4688901-A Liquid crystal light valve method and apparatus using right and left-handed twist cholesteric liquid crystal JOHNSON LIGHT VALVE INC. (US) 1987-08-25 US disclosed
US-RE31715-E ESTERS OF 2-METHYLBUTYLPHENOL THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1984-10-30 US disclosed
JP-S57174374-A LIQUID CRYSTAL COMPOSITION HITACHI LTD 1982-10-27 JP disclosed
JP-S57174375-A LIQUID CRYSTAL COMPOSITION HITACHI LTD 1982-10-27 JP disclosed
JP-S5763380-A GUEST-HOST-TYPE LIQUID CRYSTAL DISPLAY DEVICE CASIO COMPUT CO LTD 1982-04-16 JP disclosed
US-4195916-A ELECTROOPTIC DISPLAY DEVICES, OPTICAL PHENOLIC ESTERS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1980-04-01 US disclosed