SCHEMBL29110671

SCHEMBL29110671

O=C(CC(O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
POLB P06746 2/20 0.53
PDPK1 O15530 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL26820603 1.00 MGAM (0.53) MGAMGAASIMGAM2POLB
SCHEMBL30620467 0.93 PDPK1 (0.60) GAAPOLBPDPK1KMT2AMEN1
SCHEMBL29110668 0.93 PDPK1 (0.60) GAAPOLBPDPK1KMT2AMEN1
SCHEMBL7050949 0.87 TSHR (0.59) PDPK1KMT2AMEN1L3MBTL1MAPT
SCHEMBL3077522 0.87 TSHR (0.59) PDPK1KMT2AMEN1L3MBTL1MAPT
SCHEMBL28731474 0.84 L3MBTL1 (0.64) MGAMGAASIMGAM2POLB
SCHEMBL14629580 0.84 TSHR (0.52) PDPK1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29110681 0.83 MGAM (0.53) MGAMGAASIMGAM2KMT2A
SCHEMBL29110670 0.83 NPC1 (0.58) MGAMGAASIMGAM2POLB
SCHEMBL26820541 0.83 NPC1 (0.58) MGAMGAASIMGAM2POLB

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-117069570-A Method for preparing beta-hydroxyketone by heterogeneous photocatalysis 山东理工大学 2023-11-17 CN disclosed