SCHEMBL6535237

SCHEMBL6535237

CCC(=O)N(c1ccccc1)C(CCC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALOX15 P16050 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL757884 0.90 TP53 (0.48) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL8429588 0.87 LMNA (0.39) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL8429495 0.87 LMNA (0.39) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL7342248 0.85 ALDH1A1 (0.40) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL7342254 0.85 ALDH1A1 (0.40) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL28294340 0.85 KMT2A (0.40) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL6464595 0.84 ALDH1A1 (0.39) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL7345170 0.84 MMP2 (0.40) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL29033834 0.82 ALDH1A1 (0.40) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL27960539 0.79 ALDH1A1 (0.45) SMN1; SMN2TP53ALDH1A1LMNAKMT2A

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
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP claimed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed