SCHEMBL8204587

SCHEMBL8204587

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SLC13A5 Q86YT5 5/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL120587 0.82 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL28023161 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL16334062 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL12077087 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL3745174 0.79 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL732345 0.78 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL242272 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL144692 0.77 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL27572383 0.77 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ELMNAALOX15
SCHEMBL934375 0.77 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ELMNAALOX15

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-6165499-A Transdermal therapeutic system with small application-area thickness and great flexibility, and production process LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 2000-12-26 US disclosed