SCHEMBL7928504

SCHEMBL7928504

CCOCCOc1ccc(Nc2c(F)c3c(c(OCCOCC)c2Nc2ccc(OCCOCC)cc2)C(=O)c2c(O)ccc(O)c2C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.38
THRA P10827 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
EPHX2 P34913 1/20 0.36
ESR1 P03372 4/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
APP P05067 1/20 0.34
MMP3 P08254 2/20 0.33
MMP13 P45452 1/20 0.33
PTGES O14684 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 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
SCHEMBL7927126 0.97 ADAMTS5 (0.43) ADAMTS5THRAADRB2ADRB1ADRB3
SCHEMBL7930655 0.97 KMT2A (0.37) ADAMTS5THRAADRB2ADRB1ADRB3
SCHEMBL7927279 0.88 ADAMTS5 (0.44) ADAMTS5MEN1KMT2AMAPTTP53
SCHEMBL7930019 0.87 ADAMTS5 (0.46) ADAMTS5
SCHEMBL7921275 0.85 ADAMTS5 (0.42) ADAMTS5CDK4CCND1CCND2CCND3
SCHEMBL7921285 0.84 ADAMTS5 (0.40) ADAMTS5ESR1MEN1KMT2ACDK4
SCHEMBL7930029 0.81 ADAMTS5 (0.43) ADAMTS5MEN1KMT2AMAPTALDH1A1
SCHEMBL7933295 0.77 ADAMTS5 (0.39) ADAMTS5
SCHEMBL7921187 0.76 MAPT (0.48) MEN1KMT2AMAPTTP53THRB
SCHEMBL7929940 0.75 ELANE (0.34) ADAMTS5THRAESR1MEN1KMT2A

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