SCHEMBL9305512

SCHEMBL9305512

CCCCCCCCCCCCCCOc1cc(C(=O)O)ccc1OC

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.75
PLA2G4B P0C869 1/20 0.67
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 2/20 0.63
PTPN11 Q06124 1/20 0.63
PDE4B Q07343 1/20 0.62
THRA P10827 1/20 0.61
THRB P10828 1/20 0.61
TP53 P04637 1/20 0.60

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
SCHEMBL28051119 1.00 SMPD1 (0.75) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL28604170 1.00 SMPD1 (0.75) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL4496535 0.98 SMPD1 (0.72) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL3884522 0.95 SMPD1 (0.68) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL2312195 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL9307551 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL7273205 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL18682279 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL29171434 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2
SCHEMBL16077692 0.94 PLA2G4B (0.74) SMPD1PLA2G4BCA12CA1CA2

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