SCHEMBL7144842

SCHEMBL7144842

O=C1OC(=O)c2c1ccc(Br)c(=O)c2O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ APEX1 P27695 3/20 0.34
▸ RECQL P46063 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAOA P21397 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28329948 0.80 ALOX15 (0.46) ALOX15TDP1TSHRALDH1A1KDM4E
SCHEMBL8693513 0.78 MAOA (0.53) ALOX15TDP1ALDH1A1KDM4EMEN1
SCHEMBL855919 0.76 TSHR (0.46) ALOX15TDP1TSHRALDH1A1MEN1
SCHEMBL29462451 0.76 TSHR (0.46) ALOX15TDP1TSHRALDH1A1MEN1
SCHEMBL7139576 0.75 DBH (0.45) ALOX15TDP1ALDH1A1KDM4EMEN1
SCHEMBL9751985 0.73 ELANE (0.55) ALOX15TDP1ALDH1A1KDM4EMEN1
SCHEMBL20496850 0.73 ALOX15 (0.39) ALOX15TDP1TSHRALDH1A1KDM4E
SCHEMBL28098187 0.72 ADORA3 (0.42) ALOX15TDP1ALDH1A1HPGDMAOA
SCHEMBL7142220 0.71 HDAC4 (0.50) ALOX15TDP1TSHRALDH1A1KDM4E
SCHEMBL29688935 0.70 TSHR (0.52) ALOX15TDP1TSHRALDH1A1KDM4E

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-0828483-B1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE LEPETIT SPA (IT) 2003-01-29 — — EP disclosed
US-5990160-A Use of tropolone derivatives as inhibitors of the enzyme inositol monophosphatase GRUPPO LEPETIT, SPA (IT) 1999-11-23 — — US disclosed
EP-0828483-A1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE GRUPPO LEPETIT S.p.A. (IT) 1998-03-18 — — EP disclosed
WO-1996037197-A1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE GRUPPO LEPETIT S.P.A. (IT) 1996-11-28 — — WO disclosed
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