SCHEMBL3387371

SCHEMBL3387371

CCCc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CLCN2 P51788 1/20 0.42
HMGB1 P09429 1/20 0.41
FOLH1 Q04609 2/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
CA12 O43570 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
SCHEMBL3387462 0.91 TSHR (0.46) TSHRCLCN2BIDMCL1BCL2L1
SCHEMBL1523175 0.88 TSHR (0.53) TSHRCLCN2HMGB1FOLH1HPGD
SCHEMBL16956166 0.87 ALDH1A1 (0.39) TSHRHPGDTDP1ALDH1A1POLB
SCHEMBL29163236 0.84 HMGB1 (0.45) TSHRCLCN2HMGB1FOLH1HPGD
SCHEMBL27900413 0.84 TSHR (0.45) TSHRHMGB1FOLH1HPGDTP53
SCHEMBL27969733 0.84 HMGB1 (0.61) TSHRHMGB1FOLH1HPGDTP53
SCHEMBL27574811 0.84 TSHR (0.45) TSHRHMGB1FOLH1HPGDTP53
SCHEMBL16951429 0.83 ALDH1A1 (0.36) TSHRHPGDTDP1ALDH1A1POLB
SCHEMBL27957680 0.83 TSHR (0.44) TSHRHMGB1FOLH1HPGDHTT
SCHEMBL28471763 0.83 ALDH1A1 (0.48) TSHRFOLH1HTTALDH1A1POLB

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