SCHEMBL9695064

SCHEMBL9695064

COc1c(O)cc(Br)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.55
▸ ALOX15 P16050 7/20 0.53
▸ ALOX12 P18054 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL9418420 0.88 TDP1 (0.64) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL14385352 0.85 ALOX15 (0.62) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL301662 0.83 HSD17B10 (0.59) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL14511772 0.82 TPMT (0.58) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL129971 0.80 ALOX15 (0.56) TPMTALOX15ALOX12TDP1TSHR
SCHEMBL30927163 0.80 ALOX15 (0.56) TPMTALOX15ALOX12TDP1TSHR
SCHEMBL16904136 0.80 TDP1 (0.48) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL21823580 0.78 TPMT (0.55) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL16596078 0.78 TDP1 (0.46) TPMTHSD17B10ALOX15ALOX12TDP1
SCHEMBL4931686 0.78 TPMT (0.55) TPMTHSD17B10ALOX15ALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP claimed
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP disclosed
US-4379161-A Novel substituted heterocyclic phenoxyamines, the method of preparation thereof and the use thereof as local anaesthetics SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE FRANCE (FR) 1983-04-05 — — US disclosed
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