SCHEMBL18798809

SCHEMBL18798809

NCC(=O)NCCC(=O)ONC(=O)Cc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.56
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ HDAC1 Q13547 2/20 0.45

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
SCHEMBL16921310 0.94 TRPV1 (0.58) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL18798870 0.93 TRPV1 (0.56) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16921283 0.92 TRPV1 (0.62) TRPV1GAAHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL16909120 0.91 TRPV1 (0.61) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL18798901 0.91 TRPV1 (0.53) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909102 0.90 TRPV1 (0.55) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL18798805 0.90 TRPV1 (0.52) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909235 0.89 TRPV1 (0.51) TRPV1GAAHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL16909083 0.88 TRPV1 (0.50) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909176 0.87 GAA (0.55) TRPV1GAAHPGDL3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 — — US disclosed
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