SCHEMBL28604356

SCHEMBL28604356

CCC1CCN(C(=O)OC(C)(C)C)CC1(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
GPR119 Q8TDV5 6/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL700726 0.84 HPGD (0.41) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL716216 0.84 HPGD (0.41) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL6348401 0.82 GPR119 (0.42) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL20202781 0.80 DPP4 (0.44) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL21748879 0.79 NR1H2 (0.39) GPR119HPGDALDH1A1JAK2JAK1
SCHEMBL31164732 0.78 USP30 (0.38) PTPN2PTPN1PTPN6GPR119NPC1
SCHEMBL29560344 0.77 NR1H2 (0.41) ALDH1A1USP2SMN1; SMN2MAPT
SCHEMBL16728425 0.76 NR1H2 (0.42) GPR119HPGDALDH1A1JAK2JAK1
SCHEMBL17474491 0.76 RORC (0.47) GPR119
SCHEMBL17474521 0.76 RORC (0.47) GPR119

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-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed