SCHEMBL3387462

SCHEMBL3387462

CCCCc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
BID P55957 5/20 0.46
MCL1 Q07820 5/20 0.46
BCL2L1 Q07817 4/20 0.46
BAK1 Q16611 4/20 0.46
PPARA Q07869 3/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL3387371 0.91 TSHR (0.49) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL7340241 0.88 MEN1 (0.40) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27806438 0.88 CES2 (0.40) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL27957680 0.86 TSHR (0.44) TSHRMAPTHSD17B10
SCHEMBL1523175 0.85 TSHR (0.53) TSHRGABRA1GABRB2CLCN2MAPT
SCHEMBL4659158 0.84 CYSLTR2 (0.46) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL27574811 0.81 TSHR (0.45) TSHRMAPTALOX15
SCHEMBL27900413 0.81 TSHR (0.45) TSHRMAPTALOX15
SCHEMBL29163236 0.81 HMGB1 (0.45) TSHRCLCN2KDM4EMAPTALOX15
SCHEMBL27969733 0.81 HMGB1 (0.61) TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104051159-B For the wet electrolytic capacitor of hot environment AVX公司 2018-06-12 CN disclosed
CN-103709148-B The pyridin-2-ones replaced and pyridazin-3-one F. HOFFMANN-LA ROCHE AG (CH) 2015-10-21 CN disclosed
CN-103408533-B The pyridin-2-ones of new substituted and pyridazin-3-one F. HOFFMANN-LA ROCHE AG (CH) 2015-08-26 CN disclosed
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