SCHEMBL7565329

SCHEMBL7565329

Cc1ccc(COO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.48
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH2 Q12809 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
IDO1 P14902 1/20 0.34
MAOB P27338 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP10 Q53GL7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL12855670 0.81 AGXT (0.52) AGXTCA1CA2CA9KCNH2
SCHEMBL31084123 0.80 IDO1 (0.33) IDO1
SCHEMBL958300 0.75 AGXT (0.64) AGXTCA1CA2CA9KCNH2
SCHEMBL11639552 0.72 AGXT (0.50) AGXTCA1CA2CA9KCNH2
SCHEMBL4409731 0.72 IDO1 (0.33) AGXTCA1IDO1
SCHEMBL9709126 0.71 ALDH1A1 (0.38) AGXTIDO1
SCHEMBL2696466 0.70 CYP1A2 (0.41) AGXTKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL14478161 0.69 PREP (0.44) AGXTCA1CA9
SCHEMBL31389095 0.68 MMP3 (0.40) IDO1
SCHEMBL14183641 0.68 KCNH2 (0.42) AGXTKCNH2IDO1CYP1A2CYP2A6

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
EP-1206429-A2 STILBENES WITH VASCULAR DAMAGING ACTIVITY Angiogene Pharmaceuticals Ltd (GB) 2002-05-22 EP disclosed
WO-2001012579-A2 NEW STILBENES WITH VASCULAR DAMAGING ACTIVITY ANGIOGENE PHARMACEUTICALS LTD. (GB) 2001-02-22 WO disclosed