SCHEMBL4532434

SCHEMBL4532434

COC(=O)c1c[nH]cc1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL6162557 0.84 SMN1; SMN2 (0.62) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL7300022 0.84 ALDH1A1 (0.67) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL905244 0.81 ALDH1A1 (0.63) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL21056852 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPTCYP1A2CYP3A4
Bicarbonate SCHEMBL27492793 0.80 ALDH1A1 (0.62) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL9292169 0.78 CYP3A4 (0.58) ALDH1A1TSHRMAPTCYP3A4SMN1; SMN2
SCHEMBL1156440 0.77 NR4A2 (0.41) ALDH1A1TSHRMAPTKDM4EPOLB
SCHEMBL6165003 0.77 AR (0.47) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL25720417 0.76 ALDH1A1 (0.54) ALDH1A1TSHRMAPTCYP1A2CYP3A4
SCHEMBL28682631 0.76 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCYP1A2CYP3A4

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
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
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-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