SCHEMBL9600544

SCHEMBL9600544

CC(C)(C)c1ccc(-c2[c]ccc(C(C)(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
MITF O75030 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5521594 0.89 TSHR (0.45) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL9600261 0.87 KCNH2 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9598451 0.87 RXRA (0.42) KIF11ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL9600296 0.87 ALDH1A1 (0.31) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL7647650 0.87 MEN1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1371629 0.86 KIF11 (0.38) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27957925 0.86 KIF11 (0.44) KIF11TSHRALDH1A1LMNATYR
SCHEMBL15067852 0.85 ALDH1A1 (0.39) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL6048204 0.85 TSHR (0.45) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL29024382 0.84 RXRB (0.38) KIF11ALDH1A1HPGDALOX15HSD17B10

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-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed