SCHEMBL29952425

SCHEMBL29952425

CC(C)(C)NC(=O)COc1cccc(Cl)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HPGD P15428 4/20 0.45
TSHR P16473 2/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL2561954 0.89 KDM4E (0.47) POLBALDH1A1NPC1MAPTHPGD
SCHEMBL15332743 0.85 PKM (0.49) POLBALDH1A1NPC1HPGDTSHR
SCHEMBL12376672 0.83 HPGD (0.59) POLBALDH1A1NPC1MAPTLMNA
SCHEMBL2561844 0.83 TSHR (0.53) POLBALDH1A1NPC1LMNAHPGD
SCHEMBL2563246 0.82 SMN1; SMN2 (0.56) POLBALDH1A1NPC1MAPTLMNA
SCHEMBL15330690 0.81 TSHR (0.54) ALDH1A1MAPTLMNAHPGDTSHR
SCHEMBL2562343 0.81 HPGD (0.48) POLBALDH1A1NPC1LMNAHPGD
SCHEMBL2558834 0.80 SMN1; SMN2 (0.51) POLBALDH1A1NPC1MAPTCASP3
SCHEMBL2554392 0.80 RAB9A (0.53) POLBALDH1A1NPC1LMNAHPGD
SCHEMBL2559435 0.80 MEN1 (0.49) POLBALDH1A1NPC1MAPTLMNA

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