SCHEMBL11508157

SCHEMBL11508157

CC(=O)c1ccc(Oc2cccc(Br)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.63
▸ HPGD P15428 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ MAOB P27338 4/20 0.60
▸ ESRRA P11474 1/20 0.51
▸ TNKS O95271 1/20 0.50
▸ PARP15 Q460N3 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ HTT P42858 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ F2 P00734 1/20 0.45

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
SCHEMBL3839222 0.86 SRD5A2 (0.58) MAPTRAB9AMAOBTNKSPARP15
SCHEMBL5519221 0.85 SRD5A2 (0.61) MAPTTNKSPARP15PARP14PARP10
SCHEMBL564525 0.84 RAB9A (0.70) MAPTHPGDRAB9AMAOBESRRA
SCHEMBL2186784 0.82 MAPT (0.79) MAPTHPGDRAB9AMAOBESRRA
SCHEMBL10726699 0.82 AKR1C3 (0.57) MAPTTNKSPARP15PARP14PARP10
SCHEMBL3838552 0.82 SRD5A2 (0.53) MAPTRAB9ATNKSPARP15PARP14
SCHEMBL3839157 0.82 ALDH1A1 (0.54) MAPTMAOBKMT2AMEN1F2
SCHEMBL3838974 0.82 ALDH1A1 (0.54) MAPTMAOBKMT2AMEN1F2
SCHEMBL24489414 0.81 MAPT (0.66) MAPTHPGDRAB9AMAOBESRRA
SCHEMBL13692140 0.81 MAPT (0.66) MAPTHPGDRAB9AMAOBESRRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136200-A PHENYLBUTANOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-01-23 — — US disclosed
US-4049823-A Phenylbutanol derivatives and compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-20 — — US disclosed
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