SCHEMBL28811676

SCHEMBL28811676

CC(NC(=O)OCc1ccccc1)N1CCN(C(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
PREP P48147 2/20 0.48
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
SYK P43405 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ELANE P08246 1/20 0.46
CCR1 P32246 1/20 0.45
CAPN1 P07384 1/20 0.45
CTRB1 P17538 1/20 0.45

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
SCHEMBL22233965 0.81 PREP (0.52) ATMPREPCTSKCTSLCTSB
SCHEMBL28169365 0.81 PREP (0.52) ATMPREPCTSKCTSLCTSB
SCHEMBL30101231 0.79 P2RX7 (0.51) CTSKCTSLCTSBCTSSCCR1
SCHEMBL16333011 0.79 CTSL (0.53) ATMPREPCTSKCTSLCTSB
SCHEMBL30101252 0.79 SYK (0.48) ATMPREPCTSKCTSLCTSB
SCHEMBL6323614 0.79 CTSL (0.50) ATMPREPCTSKCTSLCTSB
SCHEMBL29041528 0.76 ATM (0.46) ATMPREPCTSKCTSLCTSB
SCHEMBL8028197 0.75 MEN1 (0.61) TSHR
SCHEMBL6841175 0.74 ATM (0.58) ATMCTSKCTSLCTSBCTSS
SCHEMBL14805806 0.74 ALDH1A1 (0.60) CTSKCTSLCTSBTSHR

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-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN disclosed