SCHEMBL13704343

SCHEMBL13704343

CCC(C)c1ccc(C(=O)OC(C)c2ccc3cc4c(C)cccc4cc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 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
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ KDM2B Q8NHM5 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
SCHEMBL13704365 0.89 UTS2R (0.43) TP53SMN1; SMN2UTS2RALDH1A1TSHR
SCHEMBL13704346 0.89 UTS2R (0.43) TP53SMN1; SMN2UTS2RALDH1A1TSHR
SCHEMBL13704372 0.89 UTS2R (0.43) TP53SMN1; SMN2UTS2RALDH1A1TSHR
SCHEMBL13704331 0.85 UTS2R (0.46) UTS2RALDH1A1TSHRMEN1KMT2A
SCHEMBL13704357 0.83 ALDH1A1 (0.45) TP53UTS2RALDH1A1TSHRMEN1
SCHEMBL13704340 0.82 ALDH1A1 (0.36) TP53SMN1; SMN2UTS2RALDH1A1TSHR
SCHEMBL13704369 0.82 ALDH1A1 (0.44) TP53UTS2RALDH1A1TSHRMEN1
SCHEMBL13704338 0.82 ALDH1A1 (0.45) UTS2RALDH1A1TSHRMEN1KMT2A
SCHEMBL13704359 0.82 ALDH1A1 (0.36) TP53SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL13704342 0.81 PDCD1 (0.48) UTS2RALDH1A1TSHRMAPTAKR1C3

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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