SCHEMBL8796294

SCHEMBL8796294

CCCCCOc1ccc(C=C(CO[Si](C)(C)C(C)(C)C)c2cccc(Br)c2)cc1OCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
PLA2G4A P47712 2/20 0.34
EGFR P00533 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
DNMT1 P26358 1/20 0.33
PTPN7 P35236 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN12 Q05209 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
SMPD1 P17405 4/20 0.33
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCD Q05655 2/20 0.32

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
SCHEMBL8796289 1.00 PTPN11 (0.36) PTPN11PLA2G4AEGFRSMN1; SMN2NPSR1
SCHEMBL8796565 0.99 PTPN11 (0.37) PTPN11PLA2G4AEGFRSMN1; SMN2NPSR1
SCHEMBL8796569 0.99 PTPN11 (0.37) PTPN11PLA2G4AEGFRSMN1; SMN2NPSR1
SCHEMBL8795838 0.87 PLA2G4A (0.46) PLA2G4ASMN1; SMN2POLBSMPD1
SCHEMBL8795848 0.87 PLA2G4A (0.46) PLA2G4ASMN1; SMN2POLBSMPD1
SCHEMBL8796557 0.87 SMPD1 (0.37) PTPN11PLA2G4ASMN1; SMN2HPGDPOLB
SCHEMBL8796548 0.87 SMPD1 (0.37) PTPN11PLA2G4ASMN1; SMN2HPGDPOLB
SCHEMBL8795820 0.86 NPC1 (0.39) PTPN11PLA2G4ASMN1; SMN2HPGDLTB4R
SCHEMBL8795809 0.86 NPC1 (0.39) PTPN11PLA2G4ASMN1; SMN2HPGDLTB4R
SCHEMBL8795586 0.82 PTPN11 (0.41) PTPN11PLA2G4AEGFRSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed