SCHEMBL7921208

SCHEMBL7921208

CCCCCCCCOc1c(Nc2ccccc2OCC)c(Nc2ccccc2OCC)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
PTPN1 P18031 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7929771 0.96 GAA (0.41) GAACA12CA1CA2CA9
SCHEMBL7933317 0.87 CNR1 (0.36) MEN1KMT2A
SCHEMBL7930152 0.86 ELANE (0.37) GAAPTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL7933295 0.85 ADAMTS5 (0.39)
SCHEMBL7933215 0.83 FAAH (0.38) PTPN1
SCHEMBL7930916 0.82 ELANE (0.36) MEN1KMT2A
SCHEMBL7930360 0.82 ELANE (0.37)
SCHEMBL7928353 0.82 ELANE (0.35) ALDH1A1THRB
SCHEMBL7929762 0.81 SMPD1 (0.35) THRB
SCHEMBL7928316 0.81 ELANE (0.34) CA12CA1CA2CA9MEN1

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 4 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-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US 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