SCHEMBL8716442

SCHEMBL8716442

CCC(OC(C)=O)c1c2ccccc2cc2ccccc12.CCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
PLA2G2C Q5R387 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL8372932 0.82 ALDH1A1 (0.40) GAAMAPTLMNAKMT2AALDH1A1
SCHEMBL8716445 0.77 RAD52 (0.42) GAAMAPTLMNAPLA2G2CKMT2A
SCHEMBL8717162 0.74 LMNA (0.50) GAAMAPTLMNAKMT2AALDH1A1
SCHEMBL9404103 0.71 MEN1 (0.39) MAPTLMNAKMT2AALDH1A1MAPK1
SCHEMBL92881 0.68 ALDH1A1 (0.72) GAAMAPTLMNAKMT2AALDH1A1
SCHEMBL4647200 0.66 ALDH1A1 (0.44) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL29853852 0.65 ALDH1A1 (0.43) GAAMAPTLMNAKMT2AALDH1A1
SCHEMBL4648011 0.65 ALDH1A1 (0.43) GAAMAPTLMNAKMT2AALDH1A1
SCHEMBL2740643 0.62 KMT2A (0.40) MAPTLMNAKMT2AALDH1A1MAPK1
SCHEMBL18748725 0.62 ALDH1A1 (0.49) GAALMNAPLA2G2CKMT2AALDH1A1

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-5780206-A USING AN ANTHRACENE DERIVATIVE AS AN ABSORBER ON HIGHLY REFLECTIVE SURFACES; ALKALI-SOLUBLE POLYMERS; GENERATION OF ACID CATALYSTS; FINE PATTERNS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-14 US disclosed
US-5695910-A RESIN BECOMES ALKALI SOLUBLE BY ELIMINATING PROTECTIVE GROUPS BY ACTION OF IN SITU GENERATED ACID WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed