SCHEMBL28054540

SCHEMBL28054540

Cc1ccc(C(=O)c2ccc(C)cc2)cc1.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
NR1I2 O75469 1/20 0.54

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
SCHEMBL7262531 0.95 GAA (0.60) AKR1C3GAARAB9ANPC1NFKB1
Toluene SCHEMBL28196076 0.94 POLB (0.58) AKR1C3GAARAB9ANPC1NFKB1
SCHEMBL11301800 0.92 MAPK1 (0.59) AKR1C3GAARAB9ANPC1ALDH1A1
Benzophenone SCHEMBL27809239 0.91 ALDH1A1 (0.58) AKR1C3GAARAB9ANPC1ALDH1A1
Methyl Alcohol SCHEMBL27551657 0.89 ALDH1A1 (0.56) AKR1C3GAARAB9ANPC1ALDH1A1
SCHEMBL27637513 0.89 ALDH1A1 (0.59) AKR1C3GAARAB9ANPC1ALDH1A1
SCHEMBL411359 0.89 ALDH1A1 (0.59) AKR1C3GAARAB9ANPC1ALDH1A1
Methylamine SCHEMBL27743760 0.87 CTSD (0.56) AKR1C3GAARAB9ANPC1ALDH1A1
SCHEMBL28168274 0.87 ALDH1A1 (0.54) AKR1C3GAARAB9ANPC1ALDH1A1
SCHEMBL28313805 0.87 ALDH1A1 (0.54) AKR1C3GAARAB9ANPC1ALDH1A1

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
CN-105327703-B The preparation method of gold nano catalyst and the catalyst prod obtained and application 中国科学技术大学 2017-11-24 CN claimed
CN-105327703-A Preparation method for gold nanometer catalyst, and obtained catalyst product and application thereof USTC UNIV SCIENCE TECH CN 2016-02-17 CN claimed
CN-105327703-B The preparation method of gold nano catalyst and the catalyst prod obtained and application 中国科学技术大学 2017-11-24 CN disclosed
CN-105327703-A Preparation method for gold nanometer catalyst, and obtained catalyst product and application thereof USTC UNIV SCIENCE TECH CN 2016-02-17 CN disclosed