SCHEMBL26451675

SCHEMBL26451675

CC(C)(CCCO)NC(C)(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ARG2 P78540 1/20 0.34
FFAR1 O14842 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CAMK2A Q9UQM7 1/20 0.31
PPARA Q07869 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACLY P53396 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CPT2 P23786 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
SCHEMBL26451687 0.87 KDM4C (0.35) KDM4CALDH1A1NAALAD2
SCHEMBL8617183 0.79 SMN1; SMN2 (0.38) CYP4F2CYP4A11TDP1ALDH1A1
SCHEMBL6285315 0.78 KDM4C (0.38) KDM4CALDH1A1NAALAD2
SCHEMBL25319811 0.74 CYP4F2 (0.41) CYP4F2CYP4A11TDP1ARG2FFAR1
SCHEMBL26451683 0.73 KDM4C (0.42) KDM4CALDH1A1
SCHEMBL28206451 0.72 CYP4F2 (0.44) CYP4F2CYP4A11TDP1ARG2FFAR1
Pivalate SCHEMBL6905029 0.71 GPR84 (0.46) CYP4F2CYP4A11TDP1ARG2FFAR1
SCHEMBL30457937 0.71 TSHR (0.47) KDM4CALDH1A1NAALAD2
SCHEMBL5948432 0.70 TSHR (0.43) CYP4F2CYP4A11TDP1ARG2FFAR1
SCHEMBL13504567 0.70 TSHR (0.43) CYP4F2CYP4A11TDP1ARG2FFAR1

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
WO-2023192701-A1 MEMBRANES FOR THE SEPARATION OF H2S FROM H2S-CO2 MIXTURES OHIO STATE INNOVATION FOUNDATION (US) 2023-10-05 WO disclosed