SCHEMBL9577916

SCHEMBL9577916

CCC(C)(C)CC(=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL7412477 0.82 FFAR1 (0.45) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL10473953 0.82 TDP1 (0.37) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL276451 0.79
SCHEMBL4440354 0.78 LDHA (0.38) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL8529554 0.77 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL5671030 0.77 KDM4E (0.61) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL9009508 0.77 TDP1 (0.47) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL52091 0.77 HMGCR (0.43) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL9298951 0.77 HMGCR (0.43) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL502185 0.75 TDP1 (0.32) HMGCRCHRM1TBXA2RADRA1AKDM4E

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
EP-0376859-B1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1993-03-31 EP claimed