SCHEMBL29954494

SCHEMBL29954494

CCOc1cc(C=O)c(Cl)cc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
L3MBTL1 Q9Y468 3/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.43
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29951681 0.88 ALDH1A1 (0.77) ALDH1A1PTGDR2MEN1KMT2APOLB
SCHEMBL2558934 0.87 ALDH1A1 (0.80) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL5883468 0.86 L3MBTL1 (0.56) ALDH1A1L3MBTL1GLALMNAPTGDR2
SCHEMBL16832271 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAPTGDR2KMT2A
SCHEMBL29955281 0.82 LMNA (0.77) ALDH1A1L3MBTL1GLALMNAPTGDR2
SCHEMBL1787396 0.81 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNAPOLBMAPT
SCHEMBL6818074 0.78 ALDH1A1 (0.70) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL5882317 0.78 L3MBTL1 (0.53) ALDH1A1L3MBTL1GLALMNAPTGDR2
SCHEMBL2559619 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL7390751 0.75 ALDH1A1 (0.76) ALDH1A1L3MBTL1GLAMEN1KMT2A

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