SCHEMBL29951968

SCHEMBL29951968

CC(C)(C)NC(=O)COc1ccc(C=O)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2561777 0.89 ALDH1A1 (0.60) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15332288 0.85 ALDH1A1 (0.71) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29950552 0.84 POLB (0.90) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29952092 0.84 POLB (1.00) POLBALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL29951504 0.83 ALDH1A1 (1.00) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2556836 0.83 ALDH1A1 (0.72) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2557610 0.82 SMN1; SMN2 (0.71) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2559748 0.81 SMN1; SMN2 (0.51) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15330231 0.81 ALDH1A1 (0.58) POLBALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL16741108 0.80 POLB (0.47) POLBALDH1A1SMN1; SMN2TSHRCYP2C19

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed