SCHEMBL29190839

SCHEMBL29190839

CCOP(=O)(CCC1CCN(C(=O)OC(C)(C)C)CC1)OCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.45
GPR119 Q8TDV5 9/20 0.44
FAAH O00519 1/20 0.43
RECQL P46063 1/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1575491 0.92 GPR119 (0.47) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL7414887 0.90 GPR119 (0.49) KDM4EPKMHPGDGPR119FAAH
SCHEMBL29052765 0.88 HPGD (0.45) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL24392560 0.88 NR1H2 (0.47) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL7423554 0.88 KDM4E (0.48) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL25841495 0.85 EPHX1 (0.45) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL24510146 0.83 HPGD (0.48) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL7983094 0.82 KDM4E (0.44) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL7983288 0.81 KDM4E (0.43) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL22300528 0.81 KDM4E (0.56) KDM4EPKMGPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117883449-A ENPP1 inhibitors and their use for the treatment of cancer 里兰斯坦福初级大学理事会 2024-04-16 CN disclosed
CN-111372587-B ENPP1 inhibitors and their use for the treatment of cancer 里兰斯坦福初级大学理事会 2024-01-09 CN disclosed