SCHEMBL398010

SCHEMBL398010

CON1C(=O)CCC(=O)[C@]1(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
TACR1 P25103 1/20 0.38
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP3A4 P08684 4/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
FKBP4 Q02790 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL387694 0.91 TACR1 (0.40) KCNH2LMNATACR1CYP2C9CYP2C19
SCHEMBL2682605 0.86 TACR1 (0.40) KCNH2TACR1TRPV1FKBP4
SCHEMBL846697 0.86 FKBP4 (0.51) TACR1FKBP4
SCHEMBL7235515 0.81 TACR1 (0.41) LMNATACR1MAPK1TRPV1FKBP4
SCHEMBL8662040 0.81 ELANE (0.40)
SCHEMBL1451494 0.80 MEN1 (0.40) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL535732 0.79 ACE (0.40) LMNA
SCHEMBL1296384 0.79 LMNA (0.48) KCNH2LMNATACR1CYP2C9CYP2C19
SCHEMBL27824844 0.79 LMNA (0.48) KCNH2LMNATACR1CYP2C9CYP2C19
SCHEMBL1088354 0.79 TACR1 (0.38) TACR1KMT2AFKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101211-B2 Controlling moisture, elasticity of skin; using plant extracts; antiinflammatory agents; antiallergens KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-01-24 US disclosed
WO-2008078846-A1 COSMETIC COMPOSITION FOR ANTI-AGING OF SKIN SK CHEMICALS CO., LTD. (KR) 2008-07-03 WO disclosed
US-20040028643-A1 Compositions for retarding skin aging KABUSHIKI KAISHA YAKULT HONSHA (JP) 2004-02-12 US disclosed
EP-1352640-A1 COMPOSITIONS FOR RETARDING SKIN AGING Kabushiki Kaisha Yakult Honsha (JP) 2003-10-15 EP disclosed