SCHEMBL13704322

SCHEMBL13704322

CCC(C)c1ccc(C(=O)OC(C)c2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ HPGD P15428 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ NHERF1 O14745 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL13704320 0.90 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ENPSR1ALOX12
SCHEMBL13704325 0.88 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1CA12CA1
SCHEMBL13704319 0.88 TSHR (0.44) ALDH1A1TSHRNPSR1L3MBTL1CA12
SCHEMBL13704327 0.87 ALDH1A1 (0.43) ALDH1A1TSHRNPSR1L3MBTL1CA12
SCHEMBL13296175 0.84 TP53 (0.51) ALDH1A1TSHRNPSR1L3MBTL1MEN1
SCHEMBL13144172 0.82 CA12 (0.59) ALDH1A1TSHRKDM4ENPSR1L3MBTL1
SCHEMBL10804431 0.82 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1L3MBTL1CA12
SCHEMBL13704324 0.81 ALDH1A1 (0.41) ALDH1A1TSHRNPSR1L3MBTL1HPGD
SCHEMBL13704355 0.80 ALOX5 (0.43) ALDH1A1TSHRNPSR1L3MBTL1CA12
SCHEMBL13704332 0.79 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ENPSR1ALOX12

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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