SCHEMBL6558724

SCHEMBL6558724

CCC(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
PTGS2 P35354 2/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL173199 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRCYP3A4HSD17B10
SCHEMBL16806066 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRCYP3A4HSD17B10
SCHEMBL16806060 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRCYP3A4HSD17B10
SCHEMBL10716719 0.87 HSPB1 (0.46) HSPB1ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL9335500 0.83 HSPB1 (0.59) HSPB1ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL21660622 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRCYP3A4HSD17B10
SCHEMBL11563897 0.79 AKR1C3 (0.55) HSPB1ALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL1449274 0.79 HSPB1 (0.54) HSPB1ALDH1A1MAPK1TSHRCYP3A4
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.78 HSPB1 (0.79) HSPB1ALDH1A1MAPK1HSD17B10MEN1
SCHEMBL11689190 0.78 HSPB1 (0.79) HSPB1ALDH1A1MAPK1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816914-B1 Diazonium salt for thermosensitive recording medium OKI ELECTRIC IND CO LTD (JP) 2004-03-17 EP disclosed
US-5935756-A Diazonium salt for thermosensitive recording medium OKI ELECTRIC INDUSTRY CO., LTD. (JP) 1999-08-10 US disclosed
EP-0816914-A2 Diazonium salt for thermosensitive recording medium Oki Electric Industry Co., Ltd. (JP) 1998-01-07 EP disclosed