SCHEMBL31004147

SCHEMBL31004147

C[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
GPR119 Q8TDV5 8/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL25411425 1.00 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL30478265 1.00 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL14241561 1.00 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL359045 1.00 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL15657484 1.00 HPGD (0.48) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL13400338 0.91 ALDH1A1 (0.51) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL7934588 0.91 ALDH1A1 (0.51) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL29912970 0.91 ALDH1A1 (0.51) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL13400340 0.91 ALDH1A1 (0.51) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL14029688 0.91 ALDH1A1 (0.51) HPGDGPR119RECQLEPHX1ALDH1A1

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-2024175043-A1 PYRIDOPYRIMIDINE DERIVATIVE AND USE THEREOF 广东东阳光药业股份有限公司 2024-08-29 WO disclosed