SCHEMBL13704371

SCHEMBL13704371

CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc3c(ccc4c5ccccc5ccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ AKR1B1 P15121 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 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
SCHEMBL13704350 0.99 ALDH1A1 (0.41) ALDH1A1MAPTHPGDAKR1B1TSHR
SCHEMBL13704352 0.91 APAF1 (0.35) ALDH1A1MAPTHPGDAKR1B1TSHR
SCHEMBL13704328 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704370 0.90 ALDH1A1 (0.39) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704393 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704373 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704341 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704349 0.89 CYP1A2 (0.39) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13704336 0.87 ALDH1A1 (0.36) ALDH1A1MAPTTSHRCYP1A2CYP2D6
SCHEMBL13704337 0.84 ALDH1A1 (0.35) ALDH1A1MAPTTSHRKDM4ENPC1

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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