SCHEMBL9953407

SCHEMBL9953407

CCOC(=O)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.66
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 2/20 0.56
MAOA P21397 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL8160762 1.00 PPARG (0.66) PPARGMEN1KMT2ACTDSP1SMN1; SMN2
SCHEMBL10618582 0.93 CA1 (0.66) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL9717146 0.93 CA1 (0.66) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL9717141 0.93 CA1 (0.66) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL282385 0.90 MEN1 (0.59) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL11695905 0.90 CA12 (0.58) PPARGMEN1KMT2ACTDSP1SMN1; SMN2
SCHEMBL21437003 0.87 PPARG (0.60) PPARGMEN1KMT2ACTDSP1SMN1; SMN2
SCHEMBL10702293 0.86 CA12 (0.58) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL10764294 0.86 PTPN1 (0.59) PPARGMEN1KMT2ASMN1; SMN2CA12
SCHEMBL10702295 0.86 CA12 (0.58) PPARGMEN1KMT2ASMN1; SMN2CA12

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-2012085170-A2 PROCESS FOR MAKING ORGANOBORON COMPOUNDS, PRODUCTS OBTAINABLE THEREBY, AND THEIR USE HAAG BENJAMIN (DE) 2012-06-28 WO disclosed