SCHEMBL9305977

SCHEMBL9305977

CCCCCCCCCCCCCCOc1cccc(C(=O)Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.70
PLA2G4B P0C869 3/20 0.65
THRB P10828 2/20 0.64
THRA P10827 1/20 0.64
KMT2A Q03164 1/20 0.63
NR1H4 Q96RI1 2/20 0.59
PLA2G2A P14555 1/20 0.56
TSHR P16473 1/20 0.56
PTPN11 Q06124 1/20 0.54
PRSS1 P07477 2/20 0.53

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
SCHEMBL5204104 1.00 SMPD1 (0.70) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL1331352 1.00 SMPD1 (0.70) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL9906433 1.00 SMPD1 (0.70) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL15779400 1.00 SMPD1 (0.70) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL11337002 1.00 SMPD1 (0.70) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL8465014 0.98 SMPD1 (0.68) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL5202638 0.94 KMT2A (0.62) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL11422303 0.92 PRSS1 (0.60) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL1330972 0.89 SMPD1 (0.57) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL1329130 0.89 SMPD1 (0.57) SMPD1PLA2G4BTHRBTHRAKMT2A

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