SCHEMBL7930642

SCHEMBL7930642

CCOC(=O)c1cc(C)c([NH])c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAOA P21397 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
HSD17B2 P37059 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL1664013 0.83 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL7929916 0.82 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28692452 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL869061 0.82 ESR1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL25276513 0.80 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1101657 0.80 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL7930661 0.79 HSD17B2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7927282 0.79 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7314390 0.79 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL8985829 0.78 CA12 (0.58) CA12CA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed