SCHEMBL29954803

SCHEMBL29954803

COc1oncc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
CDC25B P30305 2/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL439222 0.72
SCHEMBL262255 0.72 POLB (0.38) POLBTDP1LCKFYNLMNA
SCHEMBL29261172 0.71 LMNA (0.51) ALDH1A1HPGDKDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL5593733 0.71 LMNA (0.51) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL3546598 0.71 ALDH1A1 (0.56) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5419613 0.71 PTGS2 (0.40) POLB
SCHEMBL5611024 0.70 ALDH1A1 (0.35) TDP1ALDH1A1HPGDKDM4EHSD17B10
Acetic Acid SCHEMBL28353986 0.69 LMNA (0.50) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3546195 0.69 ALDH1A1 (0.49) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6332334 0.68

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