SCHEMBL8716445

SCHEMBL8716445

CC(=O)OCCCc1c2ccccc2cc2ccccc12.CCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL8372934 0.82 RAD52 (0.57) RAD52ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL8717162 0.81 LMNA (0.50) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL8716442 0.77 GAA (0.39) LMNAPLA2G2CALDH1A1CYP3A4CYP2C9
SCHEMBL7239944 0.74 ALDH1A1 (0.59) LMNAPLA2G2CALDH1A1CYP3A4CYP2C9
SCHEMBL4067415 0.73 ALDH1A1 (0.56) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9404104 0.70 L3MBTL1 (0.44) RAD52LMNAALDH1A1CYP2C19KMT2A
SCHEMBL19214067 0.69 ALDH1A1 (0.44) RAD52LMNAALDH1A1CYP2C19KMT2A
SCHEMBL92881 0.68 ALDH1A1 (0.72) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3919692 0.68 HDAC1 (0.51) LMNAALDH1A1MAPTPOLBTDP1
SCHEMBL19497317 0.68 CYP1A2 (0.52) RAD52LMNAALDH1A1CYP3A4CYP2C9

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