SCHEMBL4527744

SCHEMBL4527744

CCCCCCOC(=O)c1c[nH]cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
ESR1 P03372 3/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL4535206 1.00 TSHR (0.61) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8422423 1.00 TSHR (0.61) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL4181902 0.93 TSHR (0.59) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL9222808 0.85 NOTUM (0.44) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL969677 0.81 TSHR (0.55) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL29404235 0.80 TSHR (0.66) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL28367461 0.80 TSHR (0.66) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL18106214 0.79 TSHR (0.73) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL20695609 0.79 TSHR (0.73) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL18109769 0.79 TSHR (0.73) TSHRALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US claimed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO claimed
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US disclosed
EP-0332704-B1 PROCESS FOR PRODUCING CONDUCTIVE POLYMER FILM NIPPON SODA CO (JP) 1994-12-21 EP 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