SCHEMBL9598451

SCHEMBL9598451

CC(C)(C)c1cc[c]c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
KIF11 P52732 4/20 0.40
RXRG P48443 2/20 0.35
HSD17B2 P37059 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL1371629 0.96 KIF11 (0.38) RXRARXRBKIF11ALDH1A1NPC1
SCHEMBL9600544 0.87 KIF11 (0.41) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL27957889 0.86 KIF11 (0.41) RXRARXRBKIF11HSD17B2DHODH
SCHEMBL5521594 0.84 TSHR (0.45) RXRARXRBKIF11ALDH1A1NPC1
SCHEMBL9600296 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9600261 0.82 KCNH2 (0.36) ALDH1A1DHODHNPC1RAB9AL3MBTL1
SCHEMBL7647650 0.82 MEN1 (0.35) ALDH1A1NPC1RAB9A
SCHEMBL15067852 0.80 ALDH1A1 (0.39) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL29024382 0.79 RXRB (0.38) RXRARXRBKIF11RXRGALDH1A1
SCHEMBL5736161 0.79 PTPN5 (0.34) NPC1RAB9A

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
CN-106459726-B Ultraviolet-curable resin composition for touch panel, and bonding method and article using same 日本化药株式会社 2020-12-22 CN disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed