SCHEMBL7635438

SCHEMBL7635438

CCN(CCC(=O)OC)c1ccc2c(Cl)c(C=O)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.51
▸ KDM4E B2RXH2 9/20 0.51
▸ ATM Q13315 8/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ GLA P06280 6/20 0.51
▸ CASP1 P29466 6/20 0.51
▸ CASP7 P55210 6/20 0.51
▸ HTT P42858 5/20 0.51
▸ NPSR1 Q6W5P4 5/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ USP2 O75604 3/20 0.51

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
SCHEMBL2195842 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL29493311 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL7640717 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL9279833 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL28738881 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL29952780 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL11582437 0.72 MEN1 (0.65) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL29143424 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL11584450 0.72 ALDH1A1 (0.67) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL7598406 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT

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-6458966-B1 Dye intermediate and method NYCOMED AMERSHAM PLC (GB) 2002-10-01 — — US disclosed
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