SCHEMBL15934240

SCHEMBL15934240

COc1c(O)cccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
MCL1 Q07820 1/20 0.39
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EP300 Q09472 1/20 0.38

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
2-Methoxyresorcinol SCHEMBL69297 0.79 CA2 (0.61) CA1CA2TP53MAPTKDM4E
2-Methoxyresorcinol SCHEMBL10818280 0.77 CA2 (0.59) CA1CA2TP53MAPTKDM4E
SCHEMBL25066429 0.77 MAPT (0.41) TP53MAPTKDM4EALDH1A1MAPK1
SCHEMBL5270439 0.77 SMN1; SMN2 (0.47) CA1CA2TP53MAPTKDM4E
SCHEMBL16715461 0.75 CHEK1 (0.44) CA2MAPTKDM4EALDH1A1MAPK1
Nitrogen SCHEMBL10979264 0.73 MAPT (0.39) TP53MAPTKDM4EALDH1A1MAPK1
Nitrogen SCHEMBL10986776 0.73 SMN1; SMN2 (0.44) CA1CA2TP53MAPTKDM4E
SCHEMBL30022761 0.73 ALDH1A1 (0.52) CA1CA2TP53MAPTKDM4E
SCHEMBL21815270 0.73 CA1 (0.55) CA1CA2TP53MAPTKDM4E
SCHEMBL5494774 0.73 ALDH1A1 (0.52) CA1CA2TP53MAPTKDM4E

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-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed