SCHEMBL20053685

SCHEMBL20053685

COc1ccc(C(=O)O)cc1NC(=O)CCl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.64
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
MAPK1 P28482 3/20 0.55
GAA P10253 1/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9448465 0.87 KMT2A (0.67) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL2217173 0.87 LTB4R (0.66) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL15754270 0.85 LTB4R (0.64) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL30362093 0.85 LTB4R (0.64) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL7531177 0.85 LTB4R (0.68) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL9468747 0.82 KMT2A (0.82) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL10684407 0.82 SMN1; SMN2 (0.68) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL3757797 0.82 KMT2A (0.73) KMT2AMEN1MAPK1GAAALDH1A1
SCHEMBL21665117 0.82 LTB4R (0.63) LTB4RKMT2AMEN1MAPK1GAA
SCHEMBL16098600 0.82 GSTO1 (0.48) LTB4RKMT2AMAPK1ALDH1A1RAB9A

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
US-9944612-B2 1-phenyl-2-pyridinyl alkyl alcohol derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-17 US disclosed