SCHEMBL15054944

SCHEMBL15054944

COC(=O)c1cc(OC2CCCCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PTPN6 P29350 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15054771 0.99 HPGD (0.47) HPGDLMNAAHRPTPN2PTPN1
SCHEMBL25407953 0.88 LMNA (0.47) HPGDLMNAAHRPTPN2PTPN1
SCHEMBL30508434 0.85 GAA (0.44) HPGDLMNAAHRPTPN2PTPN1
SCHEMBL25407125 0.85 GAA (0.44) HPGDLMNAAHRPTPN2PTPN1
SCHEMBL15054264 0.81 CYP19A1 (0.46) HPGDLMNAAHRPTPN2PTPN1
SCHEMBL21712104 0.80 EPHX2 (0.58) LMNAPTPN11EPHX2GAAMEN1
SCHEMBL17933974 0.80 CA12 (0.54) LMNAEPHX2SMN1; SMN2GAAMEN1
SCHEMBL419102 0.79 ALOX5 (0.55) LMNASMN1; SMN2GAAHTTMEN1
SCHEMBL17933968 0.78 CA12 (0.56) LMNAEPHX2GAAMEN1KMT2A
SCHEMBL30057722 0.78 EPHX2 (0.50) LMNAEPHX2MEN1KMT2AALDH1A1

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
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
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