SCHEMBL9711305

SCHEMBL9711305

O=C(O)C1C=C(O)C(O)CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1270950 0.67 GABRR1 (0.32) GABRR1ALDH1A1LMNAPOLB
SCHEMBL11530682 0.67 ALDH1A1 (0.42) GABRR1ALDH1A1LMNAPOLB
SCHEMBL28207403 0.66 POLB (0.39) GABRR1ALDH1A1LMNAPOLB
SCHEMBL28893743 0.65 GAA (0.33) GABRR1ALDH1A1LMNAPOLB
SCHEMBL27846307 0.63 ALDH1A1 (0.60) GABRR1ALDH1A1LMNAPOLB
SCHEMBL6858261 0.61 GABRR1 (0.39) GABRR1LMNA
SCHEMBL27494816 0.60 OAT (0.44) GABRR1ALDH1A1LMNAPOLB
SCHEMBL818222 0.60 GABRR1 (0.37) GABRR1LMNAPOLB
SCHEMBL28934977 0.59
SCHEMBL6580400 0.59

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-5157152-A Process for the oxidation of a tetrahydrophthalic acid ORTEC, INC. (US) 1992-10-20 US disclosed