SCHEMBL18697397

SCHEMBL18697397

C/N=C/C(C(=O)OC)=C1c2ccccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.41
HTT P42858 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
RYR2 Q92736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL18697403 0.82 TSHR (0.40) CYP3A4LMNAKDM4EALDH1A1POLB
SCHEMBL15470961 0.78 BCHE (0.46) BCHEHTTLMNAKDM4EGAA
SCHEMBL21908167 0.75 BCHE (0.44) BCHEHTTLMNAKDM4EGAA
SCHEMBL15470895 0.72 MAPT (0.42) BCHEHTTCYP3A4LMNAKDM4E
SCHEMBL25058860 0.72 BCHE (0.41) BCHEHTTLMNAKDM4EGAA
SCHEMBL15470955 0.71 IDO1 (0.57) BCHEHTTLMNAKDM4EGAA
SCHEMBL15470902 0.70 TSHR (0.40) BCHEHTTLMNAKDM4EGAA
SCHEMBL23209617 0.67 BCHE (0.36) BCHEHTTLMNAKDM4EGAA
SCHEMBL25058895 0.66 BCHE (0.43) BCHEHTTCYP3A4LMNAKDM4E
SCHEMBL15470962 0.65 BCHE (0.50) BCHEKDM4EGAAALDH1A1NOX1

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-9765051-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-09-19 US disclosed
US-9650356-B2 2017-05-16 US disclosed
US-9611246-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-04-04 US disclosed