SCHEMBL10130853

SCHEMBL10130853

CCCc1ccc([C@@H](C)CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
ACACB O00763 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KMT2A Q03164 1/20 0.41
ACACA Q13085 1/20 0.41
ABCB11 O95342 1/20 0.41
PLK1 P53350 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 3/20 0.39
THRB P10828 1/20 0.39
CA2 P00918 1/20 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
SCHEMBL20036657 0.83 LPL (0.43) LPLLIPGACACBESR1ESR2
SCHEMBL2641075 0.82 ABCB11 (0.52) ESR1ESR2ABCB11TRPA1
SCHEMBL10612175 0.81 LPL (0.47) LPLLIPGACACBESR1ESR2
SCHEMBL6182941 0.79 TAAR1 (0.54) LPLLIPGACACBESR1ESR2
SCHEMBL14540984 0.78 LPL (0.48) LPLLIPGACACBKMT2AACACA
SCHEMBL4796978 0.78 ADRB2 (0.48) LPLLIPGACACBKMT2AACACA
SCHEMBL7043601 0.78 ADRB2 (0.48) LPLLIPGACACBKMT2AACACA
SCHEMBL597719 0.78 IDO1 (0.50) LPLLIPGACACBKMT2AACACA
SCHEMBL9621041 0.78 LPL (0.46) LPLLIPGACACBESR1ESR2
SCHEMBL1954272 0.77 ESR1 (0.79) ESR1ESR2

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-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed