SCHEMBL21362938

SCHEMBL21362938

CC(C)(CC(C)(C)C1CCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 2/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SSTR4 P31391 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CHRM2 P08172 4/20 0.31
CHRM4 P08173 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM3 P20309 4/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDK1 Q15118 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
SCHEMBL13997881 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL13997926 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL9359725 0.79 SMN1; SMN2 (0.33) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL25617121 0.79 SMN1; SMN2 (0.36) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL2994447 0.78 MEN1 (0.40) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL24170474 0.77 SIGMAR1 (0.44) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL14289406 0.74 ALDH1A1 (0.36) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL13045306 0.74 MEN1 (0.40) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL9843774 0.73 MEN1 (0.38) SMN1; SMN2LMNAMEN1ALDH1A1ALOX12
SCHEMBL1876976 0.72 EPHX1 (0.39) SMN1; SMN2ALDH1A1EPHX1KEAP1NFE2L2

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-3373899-B1 CYCLOCARBOXYLIC ACID CONTAINING PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2019-09-18 EP disclosed