SCHEMBL18648263

SCHEMBL18648263

Cc1ccc(C(C)(C)C)c(-c2ccc(O)c(N)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
ALOX15 P16050 6/20 0.55
HSD17B10 Q99714 5/20 0.55
GAA P10253 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RECQL P46063 2/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TRPA1 O75762 1/20 0.37
TP53 P04637 2/20 0.37
TYR P14679 2/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL15458016 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL28089573 0.78 MAOB (0.43) ALDH1A1ALOX15HSD17B10LMNAHTT
SCHEMBL6342106 0.75 RARB (0.42) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL29879420 0.74 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL15458043 0.74 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL29988507 0.73
SCHEMBL104502 0.73
Hydrochloric Acid SCHEMBL27614137 0.71 ALDH1A1 (0.95) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL180815 0.71 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10GAAMAPT
SCHEMBL29362726 0.71 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10GAAMAPT

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
US-9601696-B2 Electroluminescent composition and electric device with high brightness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-21 US disclosed