SCHEMBL7905353

SCHEMBL7905353

COc1cc[c]c(C(=O)c2[c]ccc(OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 2/20 0.39
SLC6A2 P23975 2/20 0.39
CYP2C19 P33261 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL18554580 0.86 PARP1 (0.50) NPC1RAB9ACES2CES1HTT
SCHEMBL4626860 0.86 KDM4E (0.46) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL8321846 0.86 ALDH1A1 (0.46) NPC1RAB9ACES2CES1MAPT
SCHEMBL1637879 0.85 CA1 (0.46) NPC1RAB9ACES2CES1HTT
SCHEMBL10397908 0.82 HSD17B2 (0.39) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL7575058 0.82 PLK1 (0.49) NPC1RAB9AHTTMAPTALDH1A1
SCHEMBL27470832 0.79 HPGD (0.47) NPC1RAB9AHTTMAPTALDH1A1
SCHEMBL27575507 0.78 ESR1 (0.43) NPC1RAB9ACES2CES1HTT
SCHEMBL4781506 0.77 AKR1C3 (0.41) RAB9AMAPTNPSR1CYP3A4LMNA
SCHEMBL9651385 0.74 MMP9 (0.48) NPC1RAB9AHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201102-B1 BY DISTILLING A LOW BOILING FRACTION FROM A POLYCONDENSATION VESSEL CONTAINING A REACTION PRODUCT OBTAINED BY ACETYLATING RAW MONOMERS WITH ACETIC ANHYDRIDE, CONTROLLING TEMPERATURE OF THE LOW BOILING FRACTION FROM PARTIAL CONDENSER SUMITOMO CHEMICAL CO., LTD. (JP) 2001-03-13 US disclosed
EP-0357079-B1 Process for producing aromatic polyesters SUMITOMO CHEMICAL CO (JP) 1997-07-09 EP disclosed
US-5015723-A Process for producing aromatic polyesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 US disclosed
EP-0357079-A2 Process for producing aromatic polyesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed