SCHEMBL29588987

SCHEMBL29588987

CC(C)(C)OC(=O)N1CC2(CC(C(=O)NOCc3ccccc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL21641290 0.85 STS (0.52) STSNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24392103 0.84 STS (0.65) STSNPC1RAB9ASMN1; SMN2HTT
SCHEMBL12414109 0.81 STS (0.44) STSGPR119KDM4EPKMMEN1
SCHEMBL31333741 0.79 SMN1; SMN2 (0.49) STSNPC1RAB9ASMN1; SMN2HTT
SCHEMBL31727147 0.79 TACR1 (0.43) STSGPR119KDM4EPKMMEN1
SCHEMBL27081666 0.78 ENPP2 (0.57) MEN1KMT2AENPP2ATXN2
SCHEMBL29589624 0.77 KEAP1 (0.46) STSGPR119KDM4EPKMJAK2
SCHEMBL20582187 0.77 EPHX2 (0.42) STSSMN1; SMN2KMT2AWNT1GSK3B
SCHEMBL25410672 0.77 KDM4E (0.46) STSGPR119KDM4EPKMMEN1
SCHEMBL31293653 0.76 ENPP2 (0.53) MEN1KMT2AENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848091-A Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof 1CBIO公司 2023-10-03 CN disclosed
EP-4236928-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1Cbio, Inc. (US) 2023-09-06 EP disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed