SCHEMBL8450140

SCHEMBL8450140

CCCCCC[C@H](F)COc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
RARA P10276 2/20 0.51
RARG P13631 1/20 0.49
PTPN11 Q06124 5/20 0.44
MCL1 Q07820 1/20 0.44
PLA2G4B P0C869 1/20 0.43
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL8450147 1.00 RARB (0.51) RARBRARARARGPTPN11MCL1
SCHEMBL8450144 1.00 RARB (0.51) RARBRARARARGPTPN11MCL1
SCHEMBL9168817 0.88 THRA (0.47) RARBPTPN11PLA2G4BTP53TSHR
SCHEMBL7821266 0.83 RARB (0.66) RARBRARARARGPTPN11MCL1
SCHEMBL9626748 0.83 RARB (0.66) RARBRARARARGPTPN11MCL1
SCHEMBL1583118 0.83 RARB (0.66) RARBRARARARGPTPN11MCL1
SCHEMBL7814595 0.83 RARB (0.66) RARBRARARARGPTPN11MCL1
SCHEMBL7824715 0.83 RARB (0.66) RARBRARARARGPTPN11MCL1
SCHEMBL9161826 0.82 RARB (0.53) RARBRARARARGPTPN11MCL1
Hydrochloric Acid SCHEMBL9626908 0.82 RARB (0.64) RARBRARARARGPTPN11MCL1

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
US-5861109-A Liquid crystal materials, mixtures and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 1999-01-19 US disclosed
EP-0703955-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOV. OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-03 EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 WO disclosed