SCHEMBL29955873

SCHEMBL29955873

CCC(C)NC(=O)COc1c(C=O)cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFE2L2 Q16236 1/20 0.43
NPC1 O15118 1/20 0.43
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
MAPK1 P28482 1/20 0.42
GBA1 P04062 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2555444 0.89 SRC (0.52) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL29958222 0.84 PTGDR2 (0.56) RAB9AKDM4ENPC1MAPK1GBA1
SCHEMBL29952197 0.83 ALDH1A1 (0.56) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL20150988 0.82 SRC (0.56) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL2555240 0.82 SRC (0.56) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL2554954 0.82 SRC (0.50) SRCRAB9ANFE2L2NPC1TLR2
SCHEMBL2561415 0.81 SMN1; SMN2 (0.47) SRCRAB9AKDM4ENPC1MAPK1
SCHEMBL2556798 0.81 HSD17B10 (0.53) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL2557724 0.80 SRC (0.50) SRCRAB9AKDM4ENFE2L2NPC1
SCHEMBL15330537 0.79 SRC (0.55) SRCRAB9AKDM4ENFE2L2NPC1

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