SCHEMBL8274237

SCHEMBL8274237

CCCCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 3/20 0.42
BIRC2 Q13490 1/20 0.41
ALPG P10696 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.40
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL14304682 0.87 ALDH1A1 (0.50) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL807264 0.87 ALDH1A1 (0.50) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL14116525 0.83 BIRC2 (0.45) NPSR1ALDH1A1BIRC2EPHX1HPGD
SCHEMBL2034542 0.82 EPHX1 (0.55) NPSR1ALDH1A1EPHX1TSHRACHE
SCHEMBL2846894 0.82 EPHX1 (0.55) NPSR1ALDH1A1EPHX1TSHRACHE
SCHEMBL23844103 0.80 EPHX1 (0.58) NPSR1ALDH1A1EPHX1TSHRACHE
SCHEMBL2027273 0.80 ALDH1A1 (0.52) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL15796558 0.80 EPHX1 (0.58) NPSR1ALDH1A1EPHX1TSHRACHE
SCHEMBL21184185 0.80 EPHX1 (0.58) NPSR1ALDH1A1EPHX1TSHRACHE
SCHEMBL11983353 0.80 ALDH1A1 (0.47) NPSR1ALDH1A1ALPGPPARGHTT

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
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed