SCHEMBL28074286

SCHEMBL28074286

COc1cc(C#Cc2ccccc2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
CA4 P22748 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
FFAR1 O14842 1/20 0.46
GRM5 P41594 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP3 Q96P20 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL12729823 0.87 APP (0.56) APPL3MBTL1CA4ALDH1A1CA12
SCHEMBL674040 0.86 ALDH1A1 (0.65) APPL3MBTL1ALDH1A1CA12CA1
SCHEMBL4267103 0.85 CA12 (0.63) APPL3MBTL1CA4CA12CA1
SCHEMBL673820 0.84 APP (0.69) APPL3MBTL1ALDH1A1CA12CA1
SCHEMBL19051634 0.83 BACE1 (0.49) APPL3MBTL1ALDH1A1CA12CA1
SCHEMBL5552160 0.82 APP (0.65) APPL3MBTL1CA4CA12CA1
SCHEMBL1005880 0.81 APP (0.77) APPALDH1A1MEN1NPC1RAB9A
SCHEMBL9715656 0.80 APP (0.63) APPL3MBTL1CA4CA12CA1
SCHEMBL13085869 0.80 APP (0.55) APPALDH1A1CA12CA1CA2
SCHEMBL712263 0.79 APP (0.52) APPL3MBTL1ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675740-A Potholin glucoside, application of pinosylin glucoside and preparation method of pinosylin glucoside 南通大学 2020-09-18 CN claimed
CN-102881296-B Optical data carrier records method and the optical data carrier of data 通用电气公司 2016-07-06 CN claimed
CN-111763139-B Pinocembrin, application of pinocembrin and preparation method of pinocembrin 苏州擎源生物科技合伙企业(有限合伙) 2022-11-22 CN disclosed
CN-109776253-B Method for selectively synthesizing cis-olefin and trans-olefin by catalyzing semi-reduction of alkyne through palladium hydrogen donor by alcohol 南通大学 2022-07-15 CN disclosed
CN-111675740-A Potholin glucoside, application of pinosylin glucoside and preparation method of pinosylin glucoside 南通大学 2020-09-18 CN disclosed
CN-102881296-B Optical data carrier records method and the optical data carrier of data 通用电气公司 2016-07-06 CN disclosed