SCHEMBL29954782

SCHEMBL29954782

CCc1c(C=O)[nH]c(C=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.33
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 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
SCHEMBL9735543 0.85 IGF1R (0.37) ALDH1A1POLBKMT2AIGF1R
SCHEMBL15380984 0.84 ALDH1A1 (0.36) ALDH1A1POLBKMT2AIGF1RHSD17B10
SCHEMBL14543745 0.84 PDGFRB (0.44) ALDH1A1POLBKMT2AIGF1RPDGFRB
SCHEMBL5358334 0.84 ALDH1A1 (0.39) ALDH1A1POLBKMT2AIGF1RPDGFRB
SCHEMBL5769612 0.84 ALDH1A1 (0.36) ALDH1A1POLBKMT2AIGF1RPDGFRB
SCHEMBL29954578 0.81 ALDH1A1 (0.34) ALDH1A1POLBKMT2AIGF1RPDGFRB
SCHEMBL13228907 0.81 ALDH1A1 (0.34) ALDH1A1POLBKMT2AIGF1RHSD17B10
SCHEMBL6863189 0.78 IGF1R (0.33) ALDH1A1POLBKMT2AIGF1RHSD17B10
SCHEMBL2491769 0.77 ALDH1A1 (0.36) ALDH1A1POLBKMT2A
SCHEMBL12849434 0.75 HSD17B10 (0.36) ALDH1A1POLBKMT2AIGF1RPDGFRB

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