SCHEMBL4267098

SCHEMBL4267098

C[C@H](N)C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
METAP1 P53582 2/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DEGS1 O15121 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7043430 0.90 METAP2 (0.46) METAP2NPC1RAB9AMETAP1HDAC3
SCHEMBL2545018 0.88 METAP2 (0.49) METAP2NPC1RAB9AMETAP1HDAC3
SCHEMBL985997 0.84 LARS1 (0.58) METAP2NPC1RAB9AMETAP1HDAC3
Hydrochloric Acid SCHEMBL8669233 0.83 LARS1 (0.57) METAP2NPC1RAB9AMETAP1HDAC3
SCHEMBL6888897 0.83 CCR1 (0.49) METAP2
Bromide SCHEMBL4657453 0.82 HDAC3 (0.48) METAP2NPC1RAB9AMETAP1HDAC3
SCHEMBL12259734 0.80 ALDH1A1 (0.53) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL9390095 0.80 METAP2 (0.49) METAP2NPC1RAB9AHDAC3HDAC1
SCHEMBL6828289 0.79 NAMPT (0.57) METAP2NPC1RAB9ATDP1
SCHEMBL9731103 0.78 PLAU (0.58) NPC1RAB9AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2866900-A2 SOOTHING TOPICAL COMPOSITION CONTAINING PAEONIA AND NYMPHAEA EXTRACTS Société De Recherche Cosmétique S.à.r.L. (LU) 2015-05-06 EP disclosed
US-20140045205-A1 GLUTAMYL AMINOPEPTIDASE AS A MARKER OF RENAL DAMAGE UNIVERSIDAD DE GRANADA (ES) 2014-02-13 US disclosed
WO-2014001465-A2 SOOTHING TOPICAL COMPOSITION CONTAINING PAEONIA AND NYMPHAEA EXTRACTS SOCIÉTÉ DE RECHERCHE COSMÉTIQUE S.À.R.L. (LU) 2014-01-03 WO disclosed
EP-2111460-A2 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA BIOMERIEUX (FR) 2009-10-28 EP disclosed
WO-2008104679-A2 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA bioMérieux (FR) 2008-09-04 WO disclosed
EP-0366662-A1 AMINOPEPTIDASE FOR REMOVING N-TERMINAL METHIONINE FROM PROTEINS AND PROTEINS PREPARED THEREFROM BIOGEN, INC. (US) 1990-05-09 EP disclosed