SCHEMBL13704353

SCHEMBL13704353

CCC(C)c1ccc(C(=O)OC(C)c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ UTS2R Q9UKP6 5/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GRIA4 P48058 2/20 0.38
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL13704342 0.92 PDCD1 (0.48) PDCD1CD274UTS2RPTGS2GRIA4
SCHEMBL13704357 0.89 ALDH1A1 (0.45) PDCD1CD274UTS2RCYP1A2CYP2D6
SCHEMBL13704369 0.88 ALDH1A1 (0.44) PDCD1CD274UTS2RCYP1A2CYP2D6
SCHEMBL13704331 0.84 UTS2R (0.46) UTS2RCYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL13704365 0.83 UTS2R (0.43) PDCD1CD274UTS2RCYP1A2CYP2D6
SCHEMBL13704346 0.83 UTS2R (0.43) PDCD1CD274UTS2RCYP1A2CYP2D6
SCHEMBL13704372 0.83 UTS2R (0.43) PDCD1CD274UTS2RCYP1A2CYP2D6
SCHEMBL13704367 0.81 ALDH1A1 (0.40) PDCD1CD274UTS2RSMN1; SMN2ALDH1A1
SCHEMBL13704349 0.81 CYP1A2 (0.39) PDCD1CD274UTS2RCYP1A2CYP3A4
SCHEMBL13704340 0.81 ALDH1A1 (0.36) PDCD1CD274UTS2RSMN1; SMN2ALDH1A1

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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