SCHEMBL8956901

SCHEMBL8956901

CCCCCCCCCCCCCCOc1cc(Cl)c(OP(=O)(O)Oc2cccc(CBr)c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.48
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8956491 0.88 GGPS1 (0.51) GGPS1
SCHEMBL8956499 0.86 GGPS1 (0.49) GGPS1
SCHEMBL8956415 0.86 GGPS1 (0.61) GGPS1CNR1CNR2
SCHEMBL8956417 0.86 GGPS1 (0.61) GGPS1CNR1CNR2
SCHEMBL8956899 0.86 GGPS1 (0.61) GGPS1CNR1CNR2
SCHEMBL8956369 0.85 GGPS1 (0.57) GGPS1S1PR2S1PR1S1PR3LPAR2
SCHEMBL8956302 0.84 GGPS1 (0.47) GGPS1
SCHEMBL8956427 0.84 GGPS1 (0.47) GGPS1
SCHEMBL8956430 0.84 GGPS1 (0.49) GGPS1
SCHEMBL8956529 0.83 GGPS1 (0.48) GGPS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374513-B1 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO (US) 1996-01-10 EP disclosed
US-5328901-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5231091-A Antihistamines, anaphylactic, respiratory system disorders, cardiovascular disorders ans septic shock AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed