SCHEMBL32680313

SCHEMBL32680313

CCC(=O)C(C=O)(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 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
SCHEMBL11286398 0.80
SCHEMBL4706953 0.76 MEN1 (0.33) ALDH1A1FFAR3TSHR
SCHEMBL29963438 0.76 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL27746607 0.74 ALOX15 (0.31)
SCHEMBL2071264 0.70
SCHEMBL1973238 0.70 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL7135641 0.69 MEN1 (0.33) ALDH1A1
SCHEMBL10447893 0.69 CYP2D6 (0.41) TDP1ALDH1A1FFAR3TSHR
SCHEMBL29963172 0.68 HCAR2 (0.44) ALDH1A1
SCHEMBL28714306 0.67 DGAT1 (0.40)

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-4054608-B1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE MEDICINE (US) 2026-03-04 EP disclosed