SCHEMBL13704336

SCHEMBL13704336

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 4/20 0.36
▸ GAA P10253 3/20 0.33
▸ CYP2C19 P33261 4/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TP53 P04637 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL13704350 0.88 ALDH1A1 (0.41) ALDH1A1TSHRGAACYP2C19SMN1; SMN2
SCHEMBL13704371 0.87 ALDH1A1 (0.40) ALDH1A1TSHRGAACYP2C19CYP2C9
SCHEMBL13704328 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19CYP3A4TP53
SCHEMBL13704352 0.85 APAF1 (0.35) ALDH1A1TSHRCYP2C19MAPK1TP53
SCHEMBL13704341 0.84 ALDH1A1 (0.41) ALDH1A1TSHRGAACYP2C19CYP3A4
SCHEMBL13704393 0.84 ALDH1A1 (0.41) ALDH1A1TSHRGAACYP2C19CYP3A4
SCHEMBL13704373 0.84 ALDH1A1 (0.41) ALDH1A1TSHRGAACYP2C19CYP3A4
SCHEMBL13704362 0.84 ALDH1A1 (0.38) ALDH1A1TSHRGAACYP2C19CYP3A4
SCHEMBL13704359 0.84 ALDH1A1 (0.36) ALDH1A1TSHRGAACYP2C19CYP3A4
SCHEMBL13704370 0.83 ALDH1A1 (0.39) ALDH1A1TSHRGAACYP2C19CYP3A4

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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