SCHEMBL6838149

SCHEMBL6838149

O=C(O)c1cc2c(O)c(O)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
SMAD3 P84022 1/20 0.51
HPGD P15428 4/20 0.50
GPR35 Q9HC97 3/20 0.50
CYP2C19 P33261 2/20 0.50
GRIN1 Q05586 2/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
NGFR P08138 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
AHR P35869 1/20 0.50
CHRNA7 P36544 1/20 0.50

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
SCHEMBL27482998 0.82 KDM4E (0.53) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL8911576 0.82 KDM4E (0.53) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL14925523 0.80 KDM4E (0.50) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL9314516 0.78 KDM4E (0.60) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL30310312 0.78 KDM4E (0.59) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL2762336 0.78 KDM4E (0.59) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL11615435 0.74 NGFR (0.67) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL3107966 0.73 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL4661897 0.73 KDM4E (0.58) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL29974441 0.73 KDM4E (0.54) KDM4EHSD17B10ALDH1A1LMNASMAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6758866-B2 AQUEOUS SOLUTION OF CHELATE COMPOUND, OXIDATION COLOR DYE AND COUPLER UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-07-06 US disclosed
US-20030135935-A1 Enhanced color deposition for hair with sequestering agents UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-07-24 US disclosed