SCHEMBL13704345

SCHEMBL13704345

CCC(C)c1ccc(C(=O)OC(C)c2cc(S)c3cc4ccccc4cc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.34
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL13704346 0.85 UTS2R (0.43) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704372 0.85 UTS2R (0.43) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704365 0.85 UTS2R (0.43) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704331 0.84 UTS2R (0.46) ALDH1A1TSHRUTS2RMEN1KMT2A
SCHEMBL13704340 0.83 ALDH1A1 (0.36) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704362 0.81 ALDH1A1 (0.38) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL13704357 0.80 ALDH1A1 (0.45) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704343 0.80 TP53 (0.38) ALDH1A1TSHRUTS2RMEN1KMT2A
SCHEMBL13704369 0.79 ALDH1A1 (0.44) ALDH1A1TSHRUTS2RPDCD1CD274
SCHEMBL13704324 0.79 ALDH1A1 (0.41) ALDH1A1TSHRPDCD1CD274NPC1

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
Send feedback