SCHEMBL12154752

SCHEMBL12154752

CCc1cc(CCN2CC3N(C(=O)CN(C)N3C(=O)NCc3ccc(OC)cc3)[C@@H](CCC(=O)O)C2=O)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CYP3A4 P08684 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CLPP Q16740 1/20 0.36
TCF4 P15884 1/20 0.35
CTNNB1 P35222 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL749885 0.94 L3MBTL1 (0.45) POLBCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL746634 0.91 POLB (0.45) POLBCYP3A4MEN1KMT2ACLPP
SCHEMBL747257 0.89 POLB (0.49) POLBCYP3A4MEN1KMT2ACLPP
SCHEMBL12152315 0.89 POLB (0.49) POLBCYP3A4MEN1KMT2ACLPP
SCHEMBL749749 0.89 POLB (0.49) POLBCYP3A4MEN1KMT2ACLPP
SCHEMBL746281 0.88 POLB (0.47) POLBCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL747001 0.88 POLB (0.42) POLBCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL750868 0.88 L3MBTL1 (0.46) POLBCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL748489 0.88 POLB (0.42) POLBCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL12154053 0.87 L3MBTL1 (0.53) POLBCYP3A4L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed