SCHEMBL6138085

SCHEMBL6138085

CC(NC(=O)Cn1ccc2ccccc21)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 11/20 0.73
KMT2A Q03164 1/20 0.59
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
APOBEC3A P31941 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
NPY5R Q15761 1/20 0.48

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
SCHEMBL6138201 0.85 NTSR1 (0.68) NTSR1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL6138168 0.82 NTSR1 (0.75) NTSR1KMT2A
SCHEMBL23631668 0.82 NTSR1 (0.63) NTSR1KDM4EALDH1A1POLBHPGD
SCHEMBL23631667 0.82 NTSR1 (0.63) NTSR1KDM4EALDH1A1POLBHPGD
SCHEMBL2593474 0.79 KMT2A (0.65) NTSR1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL5281186 0.79 NTSR1 (0.70) NTSR1KMT2A
SCHEMBL3307080 0.78 KMT2A (0.68) NTSR1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL5275345 0.77 NTSR1 (0.67) NTSR1KMT2A
SCHEMBL23631569 0.76 NTSR1 (0.48) NTSR1KMT2AKDM4EALDH1A1POLB
SCHEMBL24814484 0.76 KMT2A (0.65) NTSR1KMT2AMAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP disclosed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US disclosed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP disclosed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed