SCHEMBL9080996

SCHEMBL9080996

CC(C)(C)N([C@H]([C]=O)CC(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PGD P52209 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL3061108 0.71 SLC22A6 (0.32) SLC22A6TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL2205265 0.70 TDP1 (0.39) SLC22A6TDP1PGDSMN1; SMN2ALDH1A1
SCHEMBL9080606 0.70 TDP1 (0.39) SLC22A6TDP1PGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL19384699 0.68 TDP1 (0.37) SLC22A6TDP1PGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27802580 0.68 TDP1 (0.37) SLC22A6TDP1PGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL918666 0.68 TDP1 (0.37) SLC22A6TDP1PGDSMN1; SMN2ALDH1A1
SCHEMBL9187782 0.65 SMN1; SMN2 (0.38) SLC22A6TDP1PGDSMN1; SMN2
SCHEMBL9187792 0.65 SMN1; SMN2 (0.38) SLC22A6TDP1PGDSMN1; SMN2
SCHEMBL7360733 0.64 GABRR1 (0.31) ADRA1A
SCHEMBL2951344 0.62

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-5506255-A ORGANIC PIGMENTS, FLUORESCENT DYES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-04-09 US disclosed