SCHEMBL9306887

SCHEMBL9306887

CCCCCCCCCCOc1ccc(C(=O)OC)cc1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.65
THRB P10828 2/20 0.65
SMPD1 P17405 3/20 0.53
MGLL Q99685 3/20 0.50

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
SCHEMBL9306905 1.00 THRA (0.65) THRATHRBSMPD1MGLL
SCHEMBL9307228 0.88 THRA (0.70) THRATHRB
SCHEMBL9307582 0.88 THRA (0.70) THRATHRB
SCHEMBL9308207 0.85 THRA (0.67) THRATHRBSMPD1
SCHEMBL9305558 0.85 THRA (0.67) THRATHRBSMPD1
SCHEMBL24950547 0.85 SMPD1 (0.67) THRATHRBSMPD1MGLL
SCHEMBL9565566 0.85 SMPD1 (0.67) THRATHRBSMPD1MGLL
SCHEMBL967401 0.85 SMPD1 (0.67) THRATHRBSMPD1MGLL
SCHEMBL9304902 0.85 SMPD1 (0.67) THRATHRBSMPD1MGLL
SCHEMBL7335792 0.83 SMPD1 (0.64) THRATHRBSMPD1MGLL

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