SCHEMBL9697401

SCHEMBL9697401

CCCCCCCCCCCCOc1ccc(O)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
SMPD1 P17405 4/20 0.50
PTPN11 Q06124 3/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
S1PR3 Q99500 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL11321047 0.86 TSHR (0.56) CYSLTR2CYSLTR1S1PR3LMNACYP3A4
SCHEMBL12972414 0.86 MAPT (0.59) SMPD1PTPN11S1PR3MEN1NR1I2
SCHEMBL28715731 0.85 MAOA (0.53) SMPD1PTPN11S1PR3MEN1NR1I2
SCHEMBL7973785 0.83 HTR2A (0.51) SMPD1PTPN11S1PR3MEN1NR1I2
SCHEMBL12567806 0.82 ALDH1A1 (0.59) PTPN11CYSLTR2CYSLTR1S1PR3MEN1
SCHEMBL30929659 0.81 PTPN11 (0.69) SMPD1PTPN11
SCHEMBL9309481 0.81 LMNA (0.70) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL9305910 0.81 LMNA (0.70) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL7954710 0.81 LMNA (0.70) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL22324528 0.81 LMNA (0.70) PTPN11MEN1NR1I2LMNACHRM2

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-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