SCHEMBL13704332

SCHEMBL13704332

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ NHERF1 O14745 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL13704333 0.88 ALDH1A1 (0.42) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL13704334 0.88 TSHR (0.43) ALDH1A1TSHRMEN1GAAMAPT
SCHEMBL14827404 0.87 ALDH1A1 (0.44) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL13704321 0.87 TSHR (0.43) ALDH1A1TSHRMEN1TP53MAPT
SCHEMBL13704323 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTP53MAPTSMN1; SMN2
SCHEMBL25899377 0.84 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMEN1TP53
SCHEMBL13704326 0.81 ALDH1A1 (0.42) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL13704370 0.80 ALDH1A1 (0.39) ALDH1A1TSHRMEN1TP53GAA
SCHEMBL13704328 0.80 ALDH1A1 (0.42) ALDH1A1TSHRMEN1TP53MAPT
SCHEMBL6367420 0.80 TSHR (0.47) ALDH1A1TSHRMEN1TP53MAPT

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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