SCHEMBL7652880

SCHEMBL7652880

COc1cccc(C(=O)OOC(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.65
CES1 P23141 1/20 0.65
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
F2 P00734 1/20 0.61
LMNA P02545 1/20 0.61
PARP1 P09874 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
MAOB P27338 1/20 0.56
NLRP3 Q96P20 1/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL23509 0.94 CES2 (0.71) CES2CES1NPC1RAB9APARP1
SCHEMBL447347 0.89 CES2 (0.65) CES2CES1NPC1RAB9APARP1
SCHEMBL8385880 0.88 P4HB (0.56) CES2CES1NPC1RAB9AF2
SCHEMBL7627551 0.88 CES2 (0.62) CES2CES1NPC1RAB9APARP1
SCHEMBL28519972 0.86 ESR1 (0.73) CES2CES1NPC1RAB9APARP1
SCHEMBL27744379 0.86 ESR1 (0.73) CES2CES1NPC1RAB9APARP1
SCHEMBL7625784 0.84 CES2 (0.62) CES2CES1NPC1RAB9APARP1
Methyl 3-Methoxybenzoate SCHEMBL384913 0.83 SMN1; SMN2 (0.73) CES2CES1NPC1RAB9ALMNA
SCHEMBL7649401 0.83 CES2 (0.71) CES2CES1NPC1RAB9AF2
SCHEMBL30393680 0.83 CES2 (0.71) CES2CES1NPC1RAB9APARP1

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-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed