SCHEMBL1396089

SCHEMBL1396089

CCCCCC(Oc1ccc(-c2ccc(OC(CCCCC)Oc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.50
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
ELANE P08246 2/20 0.43
NR5A1 Q13285 1/20 0.41
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 2/20 0.39
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH2 P05091 2/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL51432 0.96 CTRC (0.53) CTRCGAAPKMELANENR5A1
SCHEMBL50821 0.92 PKM (0.53) CTRCGAAPKMELANENR5A1
SCHEMBL1396022 0.91 PKM (0.51) CTRCGAAPKMELANEMMP9
SCHEMBL51431 0.86 PKM (0.56) CTRCGAAPKMELANEMMP13
SCHEMBL9628392 0.83 NR5A1 (0.58) NR5A1LTA4HALDH1A1LMNAKMT2A
SCHEMBL9629032 0.83 NR5A1 (0.58) NR5A1LTA4HALDH1A1LMNAKMT2A
SCHEMBL9630337 0.83 NR5A1 (0.58) NR5A1LTA4HALDH1A1LMNAKMT2A
SCHEMBL10698946 0.83 CTRC (0.54) CTRCGAAPKMELANENR5A1
SCHEMBL51006 0.82 PKM (0.51) CTRCGAAPKMELANEMMP13
SCHEMBL10710166 0.82 CTRC (0.53) CTRCGAAPKMELANENR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289704-B1 COLOR-DEVELOPING COMPOSITION AND RECORDING MATERIAL CONTAINING THE SAME NIPPON SODA CO (JP) 2014-05-14 EP disclosed
EP-2289704-A1 COLOR-DEVELOPING COMPOSITION AND RECORDING MATERIAL CONTAINING THE SAME Nippon Soda Co., Ltd. (JP) 2011-03-02 EP disclosed