SCHEMBL9699752

SCHEMBL9699752

CCCCCCCCCCCCOc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
NR5A1 Q13285 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
ESR1 P03372 2/20 0.47
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL9698507 1.00 THRA (0.56) THRATHRBNR5A1CYSLTR2CYSLTR1
SCHEMBL224388 1.00 THRA (0.56) THRATHRBNR5A1CYSLTR2CYSLTR1
SCHEMBL9149513 0.89 ALDH1A1 (0.48) THRATHRBCYSLTR2CYSLTR1LTA4H
SCHEMBL9698493 0.88 NR5A1 (0.51) THRATHRBNR5A1CYSLTR2CYSLTR1
SCHEMBL12433812 0.84 THRA (0.55) THRATHRBLMNAHTTS1PR1
SCHEMBL7456145 0.83 THRA (0.54) THRATHRBESR1LMNAHTT
SCHEMBL30611015 0.82 ALDH1A1 (0.48) THRATHRBALDH1A1GAANR1I2
SCHEMBL28516656 0.82 ALDH1A1 (0.48) THRATHRBALDH1A1GAANR1I2
SCHEMBL5083146 0.82 ALDH1A1 (0.52) THRATHRBESR1LTA4HALDH1A1
SCHEMBL13341488 0.81 THRA (0.51) THRATHRBNR5A1ESR1NR1I2

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-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed