SCHEMBL8378754

SCHEMBL8378754

CN(C)c1ccc(C[C@H](N)C(=O)O)cc1.Nc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
ALOX15 P16050 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 4/20 0.56
PTGS1 P23219 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCB11 O95342 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
CHRM1 P11229 1/20 0.56
ACHE P22303 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
CYP1A2 P05177 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL8378751 1.00 CYP3A4 (0.56) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL2779272 0.94 SLC7A5 (0.62) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL599748 0.94 SLC7A5 (0.62) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL29588290 0.94 SLC7A5 (0.62) CYP3A4ALOX15ALDH1A1HIF1APTGS1
Hydrochloric Acid SCHEMBL16816807 0.88 HIF1A (0.56) CYP3A4ALOX15ALDH1A1HIF1APTGS1
Hydrochloric Acid SCHEMBL16816803 0.88 HIF1A (0.56) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL43851 0.87 SLC7A5 (0.71) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL43852 0.87 SLC7A5 (0.71) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL288375 0.87 SLC7A5 (0.71) CYP3A4ALOX15ALDH1A1HIF1APTGS1
SCHEMBL24947622 0.86 ALDH1A1 (0.58) CYP3A4ALOX15ALDH1A1HIF1APTGS1

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-5891695-A Polypeptides involved in the biosynthesis of streptogramins, nucleotide sequences coding for these polypeptides and their use RHONE-POULENC RORER S.A. (FR) 1999-04-06 US disclosed