SCHEMBL13704340

SCHEMBL13704340

CCC(C)c1ccc(C(=O)OC(C)c2ccc3c(S)cccc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ AKR1B1 P15121 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 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
SCHEMBL13704357 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704369 0.86 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704331 0.84 UTS2R (0.46) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL13704358 0.83 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704345 0.83 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704365 0.83 UTS2R (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704346 0.83 UTS2R (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704372 0.83 UTS2R (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704343 0.82 TP53 (0.38) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13704367 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AKDM4E

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 — — US disclosed
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