SCHEMBL8846136

SCHEMBL8846136

CCCCCOc1ccc(COc2cccc(C(=O)O)c2-c2ccccc2)cc1OCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.53
MRGPRX4 Q96LA9 3/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL8846113 0.93 PTPN11 (0.61) PTPN11MRGPRX4PTPN1PTPN6FOLH1
SCHEMBL8845944 0.92 PTPN11 (0.63) PTPN11MRGPRX4PTPN1PTPN6FOLH1
SCHEMBL10747220 0.88 PTPN11 (0.57) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL8846024 0.88 MRGPRX4 (0.46) PTPN11MRGPRX4PTPN1PTPN6MEN1
SCHEMBL10748778 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL10751589 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL10752231 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL10748482 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL10747136 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2
SCHEMBL8780475 0.87 PTPN11 (0.60) PTPN11PTPN1PTPN6MEN1NR1I2

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-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP claimed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP claimed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US claimed
EP-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed