SCHEMBL8645733

SCHEMBL8645733

CCCCCCCCCCOc1cc(C)c(C(=O)O)c(CC)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.59
THRB P10828 5/20 0.58
THRA P10827 1/20 0.58
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 2/20 0.50
BLM P54132 1/20 0.49
PTPN1 P18031 1/20 0.48
RARB P10826 3/20 0.48
PLA2G4A P47712 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
SCHEMBL8648767 0.91 PLA2G2A (0.66) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL8062575 0.85 PTPN1 (0.60) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL10084151 0.84 PLA2G2A (0.56) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL8231553 0.79 PLA2G2A (0.50) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL8231851 0.79 THRB (0.50) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL20556507 0.79 THRB (0.60) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL10656972 0.79 PTPN11 (0.50) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL1583340 0.77 PLA2G2A (0.64) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL8640999 0.77 PLA2G2A (0.64) PLA2G2ATHRBTHRATP53TSHR
SCHEMBL20556375 0.77 THRB (0.64) PLA2G2ATHRBTHRATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896533-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 1999-04-28 EP disclosed
EP-0896533-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-02-17 EP disclosed
EP-0702668-B1 DISCOTIC COMPOUNDS FOR USE IN LIQUID CRYSTAL MIXTURES SECR DEFENCE BRIT (GB) 1998-08-26 EP disclosed
US-5750050-A Discotic compounds for use in liquid crystal mixtures SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GT. BRITAIN AND N. IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY, DRA (GB) 1998-05-12 US disclosed
WO-1997030677-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1997-08-28 WO disclosed
EP-0702668-A1 DISCOTIC COMPOUNDS FOR USE IN LIQUID CRYSTAL MIXTURES The Secretary of St. for Def. in her Britannic Maj. Governm of the Un. Kingdom of Gr. Brit. and N. Ireland (GB) 1996-03-27 EP disclosed
WO-1994029263-A1 DISCOTIC COMPOUNDS FOR USE IN LIQUID CRYSTAL MIXTURES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-12-22 WO disclosed