SCHEMBL13704342

SCHEMBL13704342

CCC(C)c1ccc(C(=O)OC(C)c2ccc3cc4ccc(-c5ccccc5)cc4cc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.48
▸ CD274 Q9NZQ7 1/20 0.48
▸ UTS2R Q9UKP6 7/20 0.43
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GRIA4 P48058 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL13704353 0.92 PDCD1 (0.47) PDCD1CD274UTS2RRXRARXRB
SCHEMBL13704346 0.91 UTS2R (0.43) PDCD1CD274UTS2RALDH1A1TSHR
SCHEMBL13704365 0.91 UTS2R (0.43) PDCD1CD274UTS2RALDH1A1TSHR
SCHEMBL13704372 0.91 UTS2R (0.43) PDCD1CD274UTS2RALDH1A1TSHR
SCHEMBL13704331 0.87 UTS2R (0.46) UTS2RALDH1A1TSHRAKR1C3AKR1C2
SCHEMBL13704338 0.81 ALDH1A1 (0.45) UTS2RALDH1A1TSHRMAPTAKR1C3
SCHEMBL13704347 0.81 ALDH1A1 (0.39) PDCD1CD274UTS2RRXRARXRB
SCHEMBL13704357 0.81 ALDH1A1 (0.45) PDCD1CD274UTS2RALDH1A1TSHR
SCHEMBL13704343 0.81 TP53 (0.38) UTS2RALDH1A1TSHRMAPTAKR1C3
SCHEMBL13704325 0.80 ALDH1A1 (0.48) PDCD1CD274ALDH1A1TSHRMAPT

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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