SCHEMBL9307582

SCHEMBL9307582

CCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.70
THRB P10828 1/20 0.70
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
PTPN11 Q06124 1/20 0.60
PLA2G2D Q9UNK4 1/20 0.60
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 1/20 0.56

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
SCHEMBL9307228 1.00 THRA (0.70) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL9622897 0.90 THRA (0.55) THRATHRBALDH1A1TSHR
SCHEMBL9308207 0.89 THRA (0.67) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL9305558 0.89 THRA (0.67) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL9306905 0.88 THRA (0.65) THRATHRB
SCHEMBL9306887 0.88 THRA (0.65) THRATHRB
SCHEMBL2466292 0.87 THRA (0.70) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL1171751 0.87 THRA (0.70) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL4785017 0.86 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL7792779 0.85 TSHR (0.62) THRATHRBTSHR

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed