SCHEMBL8044086

SCHEMBL8044086

COc1cccc(N)c1NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 4/20 0.40
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL3666211 0.82 POLB (0.46) TSHRALDH1A1TDP1HSD17B10KDM4E
SCHEMBL13497796 0.81 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1HSD17B10
Hydrochloric Acid SCHEMBL9012929 0.80 KDM4E (0.44) TSHRALDH1A1ADRA2BTDP1HSD17B10
SCHEMBL20798388 0.80 ALDH1A1 (0.42) TSHRL3MBTL1ALDH1A1ADRA2BPTGS1
SCHEMBL8031008 0.79 TSHR (0.39) TSHRL3MBTL1ALDH1A1TDP1HSD17B10
Hydrochloric Acid SCHEMBL9793148 0.78 TSHR (0.38) TSHRL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL24854029 0.77 ALDH1A1 (0.40) L3MBTL1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL29814301 0.77 ALDH1A1 (0.40) L3MBTL1ALDH1A1ADRA2BPTGS1TDP1
SCHEMBL2476416 0.77 KDM4E (0.47) TSHRL3MBTL1ALDH1A1HSD17B10GBA1
SCHEMBL3672546 0.76 KDM4E (0.59) TSHRL3MBTL1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000076469-A1 ONE STEP METHOD AND COMPOSITIONS FOR SIMULTANEOUSLY COLORING AND HIGHLIGHTING HAIR REVLON CONSUMER PRODUCTS CORPORATION (US) 2000-12-21 WO disclosed