SCHEMBL29954672

SCHEMBL29954672

CC(C)(C)NC(=O)COc1cccc(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SRC P12931 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL2562163 0.88 KDM4E (0.55) POLBALDH1A1NPC1LMNAMAPT
SCHEMBL15329632 0.84 ALDH1A1 (0.58) ALDH1A1NPC1MAOAMAOBRAB9A
SCHEMBL29954389 0.82 MAPT (0.64) POLBALDH1A1NPC1LMNAMAPT
SCHEMBL29952545 0.82 ALDH1A1 (0.60) ALDH1A1NPC1MAOAMAOBRAB9A
SCHEMBL2654762 0.81 MAOA (0.43) POLBALDH1A1NPC1MAPTMAOA
SCHEMBL31074700 0.81 HSD17B10 (0.52) POLBALDH1A1NPC1LMNAMAPT
SCHEMBL2556295 0.81 HSD17B10 (0.52) POLBALDH1A1NPC1LMNAMAPT
SCHEMBL18343117 0.80 HSD17B10 (0.61) ALDH1A1NPC1LMNAMAPTCASP3
SCHEMBL2554172 0.80 MAOA (0.50) ALDH1A1NPC1MAOAMAOBRAB9A
SCHEMBL1959473 0.80 CYSLTR2 (0.57) ALDH1A1NPC1MAOAMAOBRAB9A

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