SCHEMBL8644514

SCHEMBL8644514

COC(=O)C(Br)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.54
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL27963900 0.87 LDHA (0.66) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL4998033 0.86 LDHA (0.64) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL25321413 0.83 LDHA (0.64) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL30474585 0.83 LDHA (0.64) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL6441639 0.81 ALDH1A1 (0.67) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL9244545 0.81 LDHA (0.82) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL3291118 0.81 ALDH1A1 (0.67) LDHAALDH1A1ALOX15ALOX12NPC1
Hydrochloric Acid SCHEMBL3268062 0.80 ALDH1A1 (0.70) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL9438086 0.80 LDHA (0.69) LDHAALDH1A1ALOX15ALOX12NPC1
Hydrochloric Acid SCHEMBL3291115 0.80 ALDH1A1 (0.70) LDHAALDH1A1ALOX15ALOX12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703919-B1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1998-09-02 — — EP disclosed
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 — — US disclosed
EP-0703919-A1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS Roche Diagnostics GmbH (DE) 1996-04-03 — — EP disclosed
WO-1995000522-A1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-01-05 — — WO disclosed
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