SCHEMBL29955575

SCHEMBL29955575

CC1C=CC(C(=O)O)C=C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APEX1 P27695 1/20 0.36
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 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
SCHEMBL1226420 0.84 POLB (0.47) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL4104220 0.84
SCHEMBL15388489 0.73 POLB (0.39) POLBTDP1CTDSP1APEX1
SCHEMBL17686904 0.71 POLB (0.38) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL13719910 0.70 POLB (0.39) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL25992987 0.69 POLB (0.35) POLBTDP1CTDSP1APEX1
SCHEMBL1924574 0.67 POLB (1.00) POLBTDP1CTDSP1APEX1ALDH1A1
Water SCHEMBL30480124 0.67 POLB (0.33) POLBTDP1CTDSP1APEX1
SCHEMBL28340470 0.65
SCHEMBL25992990 0.65 EGLN1 (0.37) POLBTDP1CTDSP1APEX1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed