SCHEMBL9306797

SCHEMBL9306797

CCCCCCCCCCCCCCOc1ccc(C(=O)Cl)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.65
THRB P10828 1/20 0.65
SMPD1 P17405 5/20 0.64
PLA2G4B P0C869 1/20 0.60
PRSS1 P07477 2/20 0.57
TSHR P16473 1/20 0.56
PDE4B Q07343 2/20 0.54
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9578512 1.00 THRA (0.65) THRATHRBSMPD1PLA2G4BPRSS1
SCHEMBL9308281 0.94 SMPD1 (0.71) THRATHRBSMPD1PLA2G4BPRSS1
SCHEMBL11239964 0.94 THRA (0.57) THRATHRBSMPD1PLA2G4BPRSS1
SCHEMBL9307466 0.93 SMPD1 (0.60) THRATHRBSMPD1PLA2G4BTSHR
SCHEMBL9307706 0.93 SMPD1 (0.60) THRATHRBSMPD1PLA2G4BTSHR
SCHEMBL7020183 0.93 SMPD1 (0.60) THRATHRBSMPD1PLA2G4BTSHR
SCHEMBL7332411 0.88 SMPD1 (0.63) THRATHRBSMPD1PLA2G4BPRSS1
SCHEMBL2312195 0.88 PLA2G4B (0.74) THRATHRBSMPD1PLA2G4BTSHR
SCHEMBL18682279 0.88 PLA2G4B (0.74) THRATHRBSMPD1PLA2G4BTSHR
SCHEMBL9307551 0.88 PLA2G4B (0.74) THRATHRBSMPD1PLA2G4BTSHR

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