SCHEMBL745441

SCHEMBL745441

CCCN1CC(=O)N2[C@@H](C(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 5/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLPP Q16740 4/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL13184826 0.96 POLB (0.47) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL745451 0.94 CLPP (0.50) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL762839 0.91 POLB (0.48) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL10225222 0.91 POLB (0.46) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL747045 0.90 CLPP (0.45) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL12037721 0.90 CLPP (0.51) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL747072 0.89 POLB (0.46) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL748483 0.89 CYP3A4 (0.48) POLBNPC1TP53RAB9ACYP3A4
SCHEMBL748454 0.89 POLB (0.46) POLBNPC1TP53RAB9AL3MBTL1
SCHEMBL749491 0.88 POLB (0.45) POLBNPC1TP53RAB9AL3MBTL1

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-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed