SCHEMBL13478113

SCHEMBL13478113

N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)CCCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
F12 P00748 3/20 0.46
MEN1 O00255 5/20 0.46
MC4R P32245 3/20 0.46
MC3R P41968 3/20 0.46
KMT2A Q03164 1/20 0.46
TSLP Q969D9 2/20 0.46

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
SCHEMBL13478174 1.00 KLKB1 (0.48) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12706701 0.92 MEN1 (0.50) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13121327 0.92 MEN1 (0.50) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12971683 0.89 MEN1 (0.58) F12MEN1MC4RMC3RKMT2A
SCHEMBL23318097 0.89 HDAC3 (0.49) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12971708 0.89 HDAC3 (0.49) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13121298 0.89 HDAC3 (0.49) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12728131 0.89 HDAC3 (0.49) KLKB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14401768 0.89 MEN1 (0.57) MEN1MC4RMC3RKMT2ATSLP
SCHEMBL12728013 0.89 MEN1 (0.57) MEN1MC4RMC3RKMT2ATSLP

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-7659246-B2 Treatment of osteoarthritis PROMICS PTY LIMITED (AU) 2010-02-09 US disclosed