SCHEMBL29957481

SCHEMBL29957481

CCC(C)NC(=O)COc1cc(OC)ccc1C=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL29953963 0.91 KDM4E (0.80) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2556062 0.89 RAB9A (0.63) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29957035 0.83 ALDH1A1 (0.60) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15331330 0.82 ALDH1A1 (0.58) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2559590 0.82 RAB9A (0.55) RAB9AKDM4EALDH1A1KMT2APTGS2
SCHEMBL29958222 0.81 PTGDR2 (0.56) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL15332397 0.81 KDM4E (0.56) RAB9AKDM4EALDH1A1MAPTTRIM24
SCHEMBL2561319 0.80 RAB9A (0.52) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7840901 0.79 ALDH1A1 (0.61) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2558788 0.79 ALDH1A1 (0.61) RAB9AKDM4EALDH1A1MEN1KMT2A

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