SCHEMBL1478261

SCHEMBL1478261

COc1c(C(=O)NC(=O)[C@@H](N)CCC(=O)O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41

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
SCHEMBL11116252 0.82 HDAC8 (0.48) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9115641 0.77 MMP2 (0.41) LMNAKDM4EALDH1A1MAPTLTA4H
SCHEMBL3103938 0.76 KMT2A (0.54) LMNADRD2DRD3GAAKDM4E
SCHEMBL9371365 0.74 CYP1A1 (0.56) LMNADRD2DRD3GAAKDM4E
SCHEMBL731316 0.72 METAP2 (0.50) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL13485803 0.72 RAB9A (0.61) LMNADRD2DRD3GAAKDM4E
SCHEMBL2747220 0.72 PLK1 (0.60) LMNADRD2DRD3GAAKDM4E
SCHEMBL1671110 0.70 CYP1A1 (0.64) LMNADRD2DRD3GAAKDM4E
SCHEMBL11341261 0.70 KDM4E (0.54) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11136366 0.70 HDAC8 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
US-7914780-B1 Aminopeptidase A (APA) targeting peptides for the treatment of cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7420030-B2 Aminopeptidase A (APA) targeting peptides for the treatment of cancer THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-02 US disclosed
US-20050003466-A1 Aminopeptidase a (APA) targeting peptides for the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-06 US disclosed