SCHEMBL9577860

SCHEMBL9577860

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR3 O14843 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CTH P32929 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2467542 0.77 LDHA (0.40) LDHASRRHMGCRCHRM1TBXA2R
SCHEMBL11384778 0.76 MGAM (0.42) TSHRKDM4E
SCHEMBL1304727 0.75 LDHA (0.38) LDHASRRHMGCRCHRM1TBXA2R
SCHEMBL269347 0.74 TDP1 (0.33) TSHRFFAR3TDP1
SCHEMBL4879417 0.73 TDP1 (0.38) LDHASRRHMGCRCHRM1TBXA2R
SCHEMBL954279 0.73 LDHA (0.47) LDHASRRHMGCRCHRM1TBXA2R
SCHEMBL85014 0.73 TSHR (0.42) HMGCRCHRM1TBXA2RADRA1APOLB
SCHEMBL21907862 0.72 GLRA1 (0.32) KDM4E
SCHEMBL10892961 0.72 TSHR (0.32) POLBTSHR
SCHEMBL14715593 0.70 LDHA (0.44) LDHASRRHMGCRCHRM1TBXA2R

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