SCHEMBL4907989

SCHEMBL4907989

C=C(C)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
LMNA P02545 3/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PRSS1 P07477 1/20 0.56
ACR P10323 1/20 0.56

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
SCHEMBL9068720 1.00 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4905246 1.00 NPC1 (0.66) NPC1LMNANFKB1NFKB2RELA
SCHEMBL20777010 0.92 POLB (0.68) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21847975 0.92 TSHR (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL27821661 0.92 TSHR (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9004229 0.91 POLB (0.70) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13572525 0.90 POLB (0.65) NPC1LMNANFKB1NFKB2RELA
SCHEMBL16657523 0.90 NPC1 (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL16425369 0.90 NPC1 (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21084422 0.89 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO 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