SCHEMBL12643113

SCHEMBL12643113

C/C=C/c1cc(C(=O)O)ccc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
XDH P47989 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2586815 0.84 KMT2A (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL18360184 0.83 KMT2A (0.49) KMT2ACA12CA1CA2CA4
SCHEMBL31372250 0.83 KMT2A (0.49) KMT2ACA12CA1CA2CA4
SCHEMBL14724888 0.80 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL3545163 0.79 KMT2A (0.58) KMT2ACA12CA1CA2CA4
SCHEMBL15298621 0.78 BACE1 (0.43) KMT2ACA12CA1CA2CA7
SCHEMBL9005609 0.76 TTR (0.56) KMT2ACA12CA1CA2CA4
SCHEMBL2543398 0.76 KMT2A (0.55) KMT2ACA12CA1CA2CA4
SCHEMBL28173230 0.75 KMT2A (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL28118006 0.75 KMT2A (0.50) KMT2ACA12CA1CA2CA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506972-B1 SUPPORTED OLEFIN METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2019-04-17 EP disclosed
US-9427731-B2 Supported olefin metathesis catalysts MATERIA, INC. (US) 2016-08-30 US disclosed
US-20130261312-A1 SUPPORTED OLEFIN METATHESIS CATALYSTS MATERIA, INC. (US) 2013-10-03 US disclosed
WO-2011069134-A2 SUPPORTED OLEFIN METATHESIS CATALYSTS MATERIA, INC. (US) 2011-06-09 WO disclosed