SCHEMBL30933768

SCHEMBL30933768

CCOc1ccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HTR6 P50406 1/20 0.46
STS P08842 2/20 0.45
YAP1 P46937 3/20 0.44
NPC1 O15118 1/20 0.43
TGFBR1 P36897 3/20 0.43
CCNT1 O60563 1/20 0.42
SCN9A Q15858 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
GNRHR P30968 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL30933838 0.84 KDM4E (0.48) KDM4EPKMHTR6STSTGFBR1
SCHEMBL30933764 0.84 KDM4E (0.47) KDM4EPKMHTR6STSTGFBR1
SCHEMBL30933793 0.82 KDM4E (0.48) KDM4EPKMHTR6STSTGFBR1
SCHEMBL30933763 0.82 STS (0.52) KDM4EPKMHTR6STSTGFBR1
SCHEMBL3979358 0.82 KDM4E (0.57) KDM4EPKMSTSTGFBR1KMT2A
SCHEMBL4319076 0.82 EPHX2 (0.50) KDM4EPKMHTR6STSCCNT1
SCHEMBL30933720 0.81 DPP4 (0.47) KDM4EPKMHTR6STSTGFBR1
SCHEMBL30933731 0.80 GPR119 (0.53) KDM4EPKMHTR6TGFBR1SCN9A
SCHEMBL30933815 0.80 STS (0.52) KDM4EPKMSTSYAP1TGFBR1
SCHEMBL30933779 0.79 MAPK8 (0.46) KDM4EPKMHTR6STSCCNT1

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
WO-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed