SCHEMBL7435409

SCHEMBL7435409

C=CCOC(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 3/20 0.31
USP2 O75604 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9242735 1.00 ADRB2 (0.34) ADRB2ADRB1ADRB3TDP1TSHR
SCHEMBL4052324 0.80 CYP1A2 (0.33) LMNAALDH1A1
SCHEMBL10487647 0.79 SMN1; SMN2 (0.40) MAPTSMN1; SMN2
SCHEMBL1485424 0.78 BTN3A1 (0.33) ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL32668778 0.78 BTN3A1 (0.33) ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL1485422 0.78 BTN3A1 (0.33) ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL13866361 0.76 TDP1 (0.32) ADRB2ADRB1ADRB3TDP1SMN1; SMN2
SCHEMBL5935161 0.74 PGK1 (0.39) SMN1; SMN2
SCHEMBL2343223 0.74
SCHEMBL2343220 0.74

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-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed