SCHEMBL3387313

SCHEMBL3387313

CCCc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.47
EIF4A1 P60842 2/20 0.46
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
NPC1 O15118 1/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL3391556 0.91 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL28068351 0.90 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL22124694 0.90 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL2557500 0.89 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL28257472 0.88 HTT (0.58) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL6272138 0.86 KMT2A (0.56) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL8102317 0.86 KMT2A (0.45) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL8102085 0.86 HTT (0.43) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL9420470 0.86 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL9420573 0.86 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TP53

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
US-8653160-B2 Inclusion complex containing epoxy resin composition for semiconductor encapsulation NIPPON SODA CO., LTD. (JP) 2014-02-18 US disclosed
US-20100179250-A1 INCLUSION COMPLEX CONTAINING EPOXY RESIN COMPOSITION FOR SEMICONDUCTOR ENCAPSULATION NIPPON SODA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2192139-A1 INCLUSION COMPLEX CONTAINING EPOXY RESIN COMPOSITION FOR SEMICONDUCTOR ENCAPSULATION Nippon Soda Co., Ltd. (JP) 2010-06-02 EP disclosed