SCHEMBL9306444

SCHEMBL9306444

CCCCCCCCCCCCCCOc1ccc(CC(=O)Cl)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
LPAR2 Q9HBW0 1/20 0.55
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
SMPD1 P17405 3/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL9306902 0.88 PTPN11 (0.62) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL9309743 0.85 ATM (0.56) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL9306342 0.84 S1PR2 (0.53) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL10997415 0.83 MAPT (0.50)
SCHEMBL76377 0.82 LMNA (0.59) EPHX2
SCHEMBL12327982 0.82 CA5A (0.59) THRATHRB
SCHEMBL2820207 0.81 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL10427981 0.81 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL579290 0.81 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL2818338 0.81 S1PR2 (0.54) S1PR2S1PR1S1PR3LPAR2THRA

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