SCHEMBL9305558

SCHEMBL9305558

CCCCCCCCCCOc1ccc(C(=O)Cl)cc1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.67
THRB P10828 2/20 0.67
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PLA2G2D Q9UNK4 1/20 0.48
SMPD1 P17405 3/20 0.48
PTPN11 Q06124 1/20 0.48

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
SCHEMBL9308207 1.00 THRA (0.67) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9307582 0.89 THRA (0.70) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9307228 0.89 THRA (0.70) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9306887 0.85 THRA (0.65) THRATHRBSMPD1
SCHEMBL9306905 0.85 THRA (0.65) THRATHRBSMPD1
SCHEMBL7020183 0.84 SMPD1 (0.60) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9307706 0.84 SMPD1 (0.60) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9307466 0.84 SMPD1 (0.60) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL8644866 0.82 THRA (0.64) THRATHRBALDH1A1HPGDPLA2G2D
SCHEMBL9307742 0.82 THRA (0.67) THRATHRBALDH1A1HPGDPLA2G2D

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