SCHEMBL29094099

SCHEMBL29094099

CCOC(=O)C1(O)CCOCCC1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.34
F10 P00742 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL29631652 1.00 TSHR (0.37) TSHRPOLBLMNARAB9AMAPT
SCHEMBL7380748 0.83 F10 (0.37) POLBLMNAKMT2AMEN1GAA
SCHEMBL24565349 0.80 F10 (0.39) POLBLMNAMAPTKMT2AMEN1
SCHEMBL7328219 0.80 F10 (0.39) POLBLMNAMAPTKMT2AMEN1
SCHEMBL24565293 0.79 F10 (0.38) TSHRPOLBLMNAMAPTKMT2A
SCHEMBL24565300 0.78 CYP3A4 (0.38) TSHRPOLBLMNAMAPTKMT2A
SCHEMBL19419830 0.78 CYP3A4 (0.38) TSHRPOLBLMNAMAPTKMT2A
SCHEMBL29631654 0.76 MEN1 (0.31) TSHRRAB9AMAPTKMT2AMEN1
SCHEMBL27221189 0.76 MEN1 (0.31) TSHRRAB9AMAPTKMT2AMEN1
SCHEMBL8198244 0.74 TSHR (0.44) TSHRPOLBLMNARAB9AMAPT

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-116528869-A Amino heteroaryl kinase inhibitors 安锐生物医药科技(广州)有限公司 2023-08-01 CN disclosed