SCHEMBL8730101

SCHEMBL8730101

COC(=O)c1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.63
ROCK2 O75116 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 6/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
GAA P10253 1/20 0.50
OPRD1 P41143 1/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49

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
Benzoin SCHEMBL342417 0.95 LMNA (0.72) CES2CES1LMNATSHRROCK2
SCHEMBL8730105 0.95 LMNA (0.67) CES2CES1LMNATSHRROCK2
SCHEMBL10777249 0.93 CA1 (0.53) CES2CES1LMNATSHRROCK2
Acetic Acid SCHEMBL10773789 0.92 CES2 (0.52) CES2CES1LMNATSHRROCK2
Benzoin SCHEMBL28155451 0.84 LMNA (0.84) CES2CES1LMNATSHRROCK2
Benzoin SCHEMBL26159 0.84 LMNA (0.84) CES2CES1LMNATSHRROCK2
Benzoin SCHEMBL28231195 0.84 LMNA (0.84) CES2CES1LMNATSHRROCK2
Benzoin SCHEMBL4910212 0.84 LMNA (0.84) CES2CES1LMNATSHRROCK2
SCHEMBL17585020 0.83 L3MBTL1 (0.67) TSHRROCK2ALDH1A1RAB9AMAPT
Benzoin SCHEMBL31362056 0.83 LMNA (0.75) CES2CES1LMNATSHRROCK2

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
US-5817826-A INHIBIT FORMATION OF PROSTAGLANDINS, LEUKOTRIENES; ANTIINFLAMMATION AGENTS SHIONOGI & CO., LTD. (JP) 1998-10-06 US disclosed
EP-0675114-A1 OXAZOLINONE DERIVATIVE HAVING INTRACELLULAR PHOSPHOLIPASE A 2? INHIBITOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1995-10-04 EP disclosed