SCHEMBL29953338

SCHEMBL29953338

COc1ccc(OCC(=O)NC(C)(C)C)c(C=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 2/20 0.64
ALDH1A1 P00352 8/20 0.56
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
ERN1 O75460 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL29951784 0.90 POLB (0.60) KDM4ERAB9APOLBALDH1A1MAPT
SCHEMBL2554953 0.85 KDM4E (0.71) KDM4ERAB9APOLBALDH1A1MAPT
SCHEMBL29953028 0.83 POLB (0.58) KDM4ERAB9APOLBALDH1A1MAPT
SCHEMBL29952430 0.83 RAB9A (0.72) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL8121860 0.82 KDM4E (0.67) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL2557701 0.82 KDM4E (0.78) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL2561823 0.82 RAB9A (0.67) KDM4ERAB9APOLBALDH1A1MAPT
SCHEMBL2554836 0.81 KDM4E (0.69) KDM4ERAB9AALDH1A1MAPTCYP2D6
SCHEMBL5882010 0.81 KDM4E (0.64) KDM4ERAB9APOLBALDH1A1MAPT
SCHEMBL15331584 0.80 RAB9A (0.64) KDM4ERAB9AALDH1A1MAPTNPC1

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