SCHEMBL9307263

SCHEMBL9307263

CCCCCCCCCCCCCCOc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 7/20 0.76
MGLL Q99685 1/20 0.63
PDE4B Q07343 2/20 0.60
CNR2 P34972 2/20 0.59
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL9307505 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171445 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171439 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171407 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171419 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171402 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL29171438 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL14930509 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBMAPT
SCHEMBL24950547 0.94 SMPD1 (0.67) SMPD1MGLLPDE4BCNR2THRA
SCHEMBL9304902 0.94 SMPD1 (0.67) SMPD1MGLLPDE4BCNR2THRA

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