SCHEMBL8774940

SCHEMBL8774940

C=CCCOc1cc(C(=O)OCC)c(OCCC=C)cc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 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
SCHEMBL8463263 0.86 HSD17B2 (0.48) KDM4ETSHRKMT2ACA12CA1
SCHEMBL15528629 0.84 KDM4E (0.65) KDM4ETSHRKMT2ACYP3A4L3MBTL1
SCHEMBL31171420 0.79 TSHR (0.60) KDM4ETSHRKMT2ACA12CA1
SCHEMBL31171418 0.79 TSHR (0.60) KDM4ETSHRKMT2ACA12CA1
SCHEMBL8775313 0.78 KDM4E (0.53) KDM4ETSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL25428188 0.78 KMT2A (0.46) KDM4ETSHRKMT2ACA12CA1
SCHEMBL668867 0.78 TSHR (0.54) KDM4ETSHRKMT2ACYP3A4L3MBTL1
SCHEMBL9379667 0.77 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL23458268 0.76 POLB (0.40) KDM4ERAB9AL3MBTL1MAPK1ALDH1A1
SCHEMBL7760951 0.75 KMT2A (0.44) TSHRRAB9AKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641831-B1 Organopolysiloxane-grafted polybenzobisoxazoles and method for preparing same DOW CORNING ASIA LTD (JP) 1997-11-12 EP disclosed
US-5464922-A Organopolysiloxane-grafted polybenzobisoxazoles and method for preparing same DOW CORNING ASIA LTD. (JP) 1995-11-07 US disclosed
EP-0641831-A1 Organopolysiloxane-grafted polybenzobisoxazoles and method for preparing same DOW CORNING ASIA, Ltd. (JP) 1995-03-08 EP disclosed