SCHEMBL13704352

SCHEMBL13704352

CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc3c(c2)c(C)cc2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GCG P01275 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL13704371 0.91 ALDH1A1 (0.40) APAF1CDC25BCASP3CASP6SENP8
SCHEMBL13704350 0.90 ALDH1A1 (0.41) APAF1CDC25BCASP3CASP6SENP8
SCHEMBL13704370 0.90 ALDH1A1 (0.39) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL13704336 0.85 ALDH1A1 (0.36) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL13704328 0.83 ALDH1A1 (0.42) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13704349 0.82 CYP1A2 (0.39) ALDH1A1TSHRNPC1RAB9ACYP1A2
SCHEMBL13704373 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13704341 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13704393 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13704358 0.81 ALDH1A1 (0.36) APAF1CDC25BCASP3CASP6SENP8

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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