SCHEMBL28635607

SCHEMBL28635607

NCC(N)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KDM4E B2RXH2 3/20 0.39
PDE4A P27815 1/20 0.39
MGAM O43451 3/20 0.33
TOP1 P11387 1/20 0.32
CYP2D6 P10635 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28378289 0.97 LMNA (0.58) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL7151296 0.97 LMNA (0.58) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL7151301 0.97 LMNA (0.58) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL8528432 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL2463563 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL3797037 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL8528496 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL8528304 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL2463562 0.81 LMNA (0.65) TDP1LMNAL3MBTL1USP2SLCO1B1
SCHEMBL18952209 0.81 TDP1 (0.71) TDP1LMNAL3MBTL1USP2SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185173-B Novel concrete retarder and preparation method thereof 贵州石博士科技股份有限公司 2022-08-12 CN claimed
CN-113185173-A Novel concrete retarder and preparation method thereof 贵州石博士科技股份有限公司 2021-07-30 CN claimed
CN-113185173-B Novel concrete retarder and preparation method thereof 贵州石博士科技股份有限公司 2022-08-12 CN disclosed
CN-113185173-A Novel concrete retarder and preparation method thereof 贵州石博士科技股份有限公司 2021-07-30 CN disclosed