SCHEMBL5717644

SCHEMBL5717644

Cc1ncc(Br)c(O)c1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CD69 Q07108 5/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ THRA P10827 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
SCHEMBL5717682 0.86 ALDH1A1 (0.42) HSD17B10KMT2APKMHTT
SCHEMBL92985 0.75 THRA (0.42) KMT2ATHRBKDM4ETHRA
SCHEMBL82592 0.75 THRB (0.43) KMT2APTPN1THRBKDM4EHTT
SCHEMBL2059331 0.73 KMT2A (0.46) ALOX15TSHRHSD17B10CD69KMT2A
SCHEMBL23147036 0.70 KDM4E (0.44) KMT2APKMKDM4EHTT
SCHEMBL6746937 0.70 THRB (0.54) ALOX15TSHRHSD17B10KMT2ATHRB
SCHEMBL5717583 0.70 KMT2A (0.43) ALOX15CD69KMT2APTPN1THRB
SCHEMBL15322103 0.68 KDM4E (0.42) TSHRHSD17B10KMT2AKDM4EHTT
SCHEMBL13603834 0.68 KMT2A (0.44) ALOX15HSD17B10CD69KMT2APKM
SCHEMBL2058988 0.68 KMT2A (0.44) ALOX15CD69KMT2APKMKDM4E

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
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