SCHEMBL7929802

SCHEMBL7929802

CCCCCCCCOc1c(Nc2c(C)cccc2C(=O)OCC)c(Nc2c(C)cccc2C(=O)OCC)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.35
CDC25B P30305 1/20 0.35
THRB P10828 1/20 0.34
PTPN1 P18031 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7930692 0.96 USP2 (0.37) TSHRTP53HSD17B10USP2CDC25B
SCHEMBL7927118 0.90 TSHR (0.38) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7928353 0.90 ELANE (0.35) ALDH1A1KDM4ETHRB
SCHEMBL7933072 0.88 CA12 (0.43) TSHRALDH1A1LMNATP53KDM4E
SCHEMBL7933237 0.86 METTL3 (0.38) TSHRALDH1A1TP53HSD17B10USP2
SCHEMBL7933317 0.86 CNR1 (0.36) KDM4E
SCHEMBL7928567 0.85 LMNA (0.36) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7929756 0.85 MAPK14 (0.35) ALDH1A1KDM4ECDC25B
SCHEMBL7933215 0.85 FAAH (0.38) PTPN1
SCHEMBL7927277 0.84 PTPN1 (0.39) KDM4EPTPN1

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