SCHEMBL6665474

SCHEMBL6665474

CCOc1ccc2c(OC)cccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15772901 0.84 SYK (0.47) CALM1ALDH1A1KDM4EMAPTLMNA
SCHEMBL6061720 0.82 ALDH1A1 (0.59) CALM1ALDH1A1KDM4EMAPTLMNA
SCHEMBL6227473 0.81 CALM1 (0.43) CALM1KDM4EMAPTTP53MAPK1
SCHEMBL9628528 0.81 CASP3 (0.46) CALM1KDM4EMAPTTP53MAPK1
SCHEMBL30339830 0.80 IDO1 (0.55) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL9344381 0.80 IDO1 (0.55) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL11220048 0.78 GABRA1 (0.48) ALDH1A1KDM4EMAPTLMNATP53
SCHEMBL19612341 0.78 SMN1; SMN2 (0.47) CALM1ALDH1A1KDM4EMAPTLMNA
SCHEMBL674008 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNATP53
SCHEMBL9825698 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNATP53

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-2004014328-A1 ONE STEP HAIR COLORING COMPOSITIONS COMPRISING WATER SOLUBLE CARBONATE RELEASING SALTS UNILEVER PLC (GB) 2004-02-19 WO disclosed