SCHEMBL9429922

SCHEMBL9429922

CCCc1cc(C(=O)OC)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.39
MGLL Q99685 3/20 0.39
NQO2 P16083 1/20 0.39
NOTUM Q6P988 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL9573638 0.87 LTB4R (0.45) PPARGPPARADRD2CA12CA1
SCHEMBL31482066 0.87 MAPT (0.41) KMT2AATMSMN1; SMN2MAPTDRD2
SCHEMBL9131385 0.83 PPARA (0.49) PPARGPPARAMEN1KMT2AATM
SCHEMBL7419392 0.82 ELANE (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL6804381 0.82 MAPT (0.50) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL3543244 0.81 MAPT (0.55) PPARGPPARAMEN1KMT2AATM
SCHEMBL19810724 0.80 NOTUM (0.41) KMT2ASMN1; SMN2MAPTNQO2NOTUM
SCHEMBL24196337 0.80 XDH (0.54) MEN1KMT2AATML3MBTL1SMN1; SMN2
SCHEMBL1525956 0.80 MAPT (0.59) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL6808810 0.80 MAPT (0.59) MEN1KMT2AATMMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
US-5354500-A Optically active carboxylic esters of oxygen-containing heterocycles as doping substances in liquid crystal mixtures and liquid crystal mixtures containing them HOECHST AKTIENGESELLSCHAFT 1994-10-11 US disclosed