SCHEMBL4524002

SCHEMBL4524002

CCCCCCCCCCCCCCCCCCOC(=O)c1cc[nH]c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 4/20 0.55
TSHR P16473 4/20 0.55
ESR1 P03372 4/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
MMP2 P08253 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51

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
SCHEMBL9496726 0.94 ESR1 (0.58) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL29132874 0.84 ESR1 (0.44) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL108532 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL10332378 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL9355717 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL2617118 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL828600 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL9355782 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL21048393 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL108412 0.81 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ALMNA

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-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US claimed
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US disclosed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO disclosed
EP-0332704-B1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO (JP) 1994-12-21 EP disclosed
US-5331056-A Electroconductive polymer compositions produced from polymerizable amphiphilic heterocycles RHONE-POULENC FILMS (FR) 1994-07-19 US disclosed
US-5306443-A Dissolving monomer with metal containing oxidizing agent in sufficient solvent to prevent polymerization; removal of solvent NIPPON SODA CO., LTD. (JP) 1994-04-26 US disclosed
EP-0332704-A1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO., LTD. (JP) 1989-09-20 EP disclosed