SCHEMBL8846063

SCHEMBL8846063

COc1cc(COc2cccc(CC(=O)O)c2-c2cccc(C(=O)O)c2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.45
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER1 P34995 6/20 0.43
S1PR1 P21453 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL8845880 0.91 NPC1 (0.41) MRGPRX4RARARARBRARGMEN1
SCHEMBL8846138 0.90 MRGPRX4 (0.47) MRGPRX4RARARARBRARGMEN1
SCHEMBL8846282 0.82 S1PR1 (0.46) MRGPRX4RARARARBRARGMEN1
SCHEMBL8845966 0.80 CFD (0.46) MRGPRX4RARARARBRARGMEN1
SCHEMBL8846139 0.79 S1PR1 (0.45) MRGPRX4RARARARBRARGMEN1
SCHEMBL8845999 0.76 KMT2A (0.43) MRGPRX4RARARARBRARGMEN1
SCHEMBL8846484 0.76 PDE4A (0.52) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL8845849 0.75 PTPN11 (0.52) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL566680 0.72 RARG (0.66) RARARARBRARGMEN1NR1I2
SCHEMBL8845847 0.72 PTPN11 (0.53) RARBPTGER1

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 5 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
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