SCHEMBL6904764

SCHEMBL6904764

CC1(O)COC(=O)c2ccc(cc2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 4/20 0.32
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 1/20 0.30
PTGER3 P43115 1/20 0.30

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
SCHEMBL345495 0.80
SCHEMBL28906941 0.80 IDO1 (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL249354 0.77 NPC1 (0.36) ALDH1A1
SCHEMBL28428607 0.72 CYP19A1 (0.32) ALDH1A1CYP1A2CYP2C9PTGS2
SCHEMBL11305873 0.72
SCHEMBL1169262 0.70
SCHEMBL27545733 0.69 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19
SCHEMBL5586278 0.69 IDO1 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28650797 0.69 LMNA (0.33) CYP2C9
SCHEMBL18794860 0.69 PRKCD (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044232-B1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORP (US) 2004-08-04 EP claimed
EP-1044232-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-10-18 EP claimed
US-6127436-A REACTING POLYETHYLENE TEREPHTHALATE PARTICLES WITH GLYCOL AND POLYHYDRIC ALIPHATIC ALCOHOL IN THE PRESENCE OF ALCOHOLYSIS CATALYST TO CONVERT POLYMER INTO OLIGOMERIC POLYOL, CONTACTING OLIGOMER WITH ACID UNDER ESTERIFICATION CONDITIONS SUN CHEMICAL CORPORATION (US) 2000-10-03 US claimed
WO-2000024802-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-05-04 WO claimed
EP-1044232-B1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORP (US) 2004-08-04 EP disclosed
EP-1044232-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-10-18 EP disclosed
US-6127436-A REACTING POLYETHYLENE TEREPHTHALATE PARTICLES WITH GLYCOL AND POLYHYDRIC ALIPHATIC ALCOHOL IN THE PRESENCE OF ALCOHOLYSIS CATALYST TO CONVERT POLYMER INTO OLIGOMERIC POLYOL, CONTACTING OLIGOMER WITH ACID UNDER ESTERIFICATION CONDITIONS SUN CHEMICAL CORPORATION (US) 2000-10-03 US disclosed
WO-2000024802-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-05-04 WO disclosed