SCHEMBL6903879

SCHEMBL6903879

CC(C)(C)c1ccc2c(c1)Cc1ccc(C(C)(C)C)cc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.39
CD69 Q07108 1/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
KIF11 P52732 5/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 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
SCHEMBL6903925 0.93 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6900356 0.93 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL40372 0.88 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29459210 0.88 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6552336 0.86 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
Lithium SCHEMBL6552341 0.86 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL28338025 0.84 ALDH1A1 (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29471001 0.83 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL311978 0.83 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18315273 0.81 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed