SCHEMBL28295047

SCHEMBL28295047

[CH2][C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
TACR1 P25103 2/20 0.62
MAPT P10636 3/20 0.61
TP53 P04637 1/20 0.61
SSTR3 P32745 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ACE P12821 2/20 0.58
P4HB P07237 4/20 0.57
GAA P10253 3/20 0.57
POLB P06746 1/20 0.57
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55

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
SCHEMBL28296782 1.00 CTSL (0.64) CTSLCTSSCTSKTACR1MAPT
SCHEMBL15679324 0.88 CTSL (0.67) CTSLCTSSCTSKTACR1MAPT
SCHEMBL24178475 0.88 CTSL (0.67) CTSLCTSSCTSKTACR1MAPT
SCHEMBL15678377 0.86 CTSL (0.64) CTSLCTSSCTSKTACR1MAPT
SCHEMBL31327535 0.85 CTSL (0.61) CTSLCTSSCTSKTACR1MAPT
SCHEMBL4782666 0.85 CTSL (0.63) CTSLCTSSCTSKTACR1MAPT
SCHEMBL6409052 0.85 CTSL (0.63) CTSLCTSSCTSKTACR1MAPT
SCHEMBL850438 0.85 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL3560147 0.85 CTSL (0.63) CTSLCTSSCTSKTACR1MAPT
SCHEMBL23126843 0.85 CTSL (0.63) CTSLCTSSCTSKTACR1MAPT

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
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed