SCHEMBL8775313

SCHEMBL8775313

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
TP53 P04637 2/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
MAPT P10636 1/20 0.37
SLC37A4 O43826 1/20 0.37
S1PR3 Q99500 1/20 0.36
POLB P06746 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL20471957 0.85 KDM4E (0.43) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL8464596 0.84 ALDH1A1 (0.55) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL20802641 0.84 KDM4E (0.52) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL15922818 0.82 KDM4E (0.51) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL8168167 0.81 TSHR (0.68) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL31007085 0.81 KDM4E (0.53) KDM4EGAAALDH1A1L3MBTL1KMT2A
SCHEMBL3315009 0.81 KDM4E (0.74) KDM4ETSHRGAAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8164468 0.79 TSHR (0.66) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL20802720 0.79 KDM4E (0.54) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL8774940 0.78 KDM4E (0.47) KDM4ETSHRGAAALDH1A1L3MBTL1

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