SCHEMBL7930689

SCHEMBL7930689

CCCCCCCCSc1c(Nc2c(OCC)cccc2OCC)c(NCCCC)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.36
PTGS2 P35354 3/20 0.34
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SOAT1 P35610 1/20 0.31
IDE P14735 1/20 0.30
TLR9 Q9NR96 1/20 0.30
ELANE P08246 2/20 0.30
CYP19A1 P11511 1/20 0.30
EGFR P00533 1/20 0.30
PIM1 P11309 1/20 0.30
PTPN1 P18031 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL7927154 0.94 P4HB (0.39) P4HBPTGS2EPHX2KDM4EMEN1
SCHEMBL7930675 0.87 SOAT1 (0.37) P4HBSOAT1
SCHEMBL7930025 0.86 CYP19A1 (0.34) EPHX2KDM4EMEN1RECQLKMT2A
SCHEMBL7928244 0.86 CYP19A1 (0.35) KDM4EMEN1RECQLKMT2ATLR9
SCHEMBL7933048 0.86 TP53 (0.32) MEN1RECQLKMT2ATLR9CYP19A1
SCHEMBL7921172 0.80 SOAT1 (0.40) P4HBSOAT1
SCHEMBL7930589 0.78 EGFR (0.43) PTGS2MEN1KMT2AEGFRPIM1
SCHEMBL7929922 0.76 TP53 (0.36) KDM4EEGFRPIM1
SCHEMBL7930651 0.75 EGFR (0.41) PTGS2MEN1KMT2AEGFRPIM1
SCHEMBL8676993 0.74 P4HB (0.46) P4HBSOAT1ELANECTSG

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