SCHEMBL8776563

SCHEMBL8776563

C=CCOc1cccc(C=C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL1520719 0.86 MEN1 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL429910 0.85 MAOA (0.58) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL29549500 0.85 MAOA (0.58) NPC1RAB9ATDP1MEN1KMT2A
Styrene SCHEMBL28042731 0.82 ALDH1A1 (0.56) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL28609933 0.82 LCK (0.60) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL2321099 0.82 NPC1 (0.49) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL31583125 0.81 LCK (0.51) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL26208667 0.81 NPC1 (0.43) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL410570 0.81 KDM4E (0.57) NPC1RAB9ATP53TDP1MAPT
SCHEMBL27962457 0.81 TDP1 (0.44) NPC1RAB9ATP53TDP1SMN1; SMN2

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-0529583-B1 3-(Vinylphenyloxy) propylsilane compound SHINETSU CHEMICAL CO (JP) 1997-11-26 EP disclosed
US-5210252-A 3-(VINYLPHENYLOXY)PROPYLSILANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0529583-A1 3-(Vinylphenyloxy) propylsilane compound Shin-Etsu Chemical Co., Ltd. (JP) 1993-03-03 EP disclosed