SCHEMBL11282153

SCHEMBL11282153

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
PLA2G4B P0C869 3/20 0.31
CYP4F2 P78329 3/20 0.31
CYP4A11 Q02928 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL939520 0.84 CA2 (0.32) ALDH1A1ATMCA2
SCHEMBL992974 0.82 ALDH1A1 (0.32) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL3290559 0.81 ALDH1A1 (0.32) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL15091054 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL446035 0.76 CYP4F2 (0.44) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL11128347 0.72 ALDH1A1 (0.41) ALDH1A1TSHRHCAR2ATMCA2
SCHEMBL2479261 0.71 HDAC2 (0.32)
SCHEMBL11138013 0.71 CA1 (0.45) ALDH1A1TSHRATMCA2MAPK1
SCHEMBL11138012 0.71 ALDH1A1 (0.40) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL5202946 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHCAR2ATMCA2

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-0049083-A1 Laminated film TORAY INDUSTRIES, INC. (JP) 1982-04-07 EP disclosed