SCHEMBL28158293

SCHEMBL28158293

COc1cccc(OC=O)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3755885 0.88 MAPK1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2875254 0.84 MAPK1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2094874 0.82 NFE2L2 (0.47) KDM4EALDH1A1TLR2ERN1TLR1
SCHEMBL807200 0.80 TLR2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2160662 0.79 MAPK1 (0.47) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2094352 0.78 SMN1; SMN2 (0.48) MAPK1KDM4EALDH1A1MAPTTLR2
SCHEMBL6199258 0.77 MAPT (0.53) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3327023 0.77 MAPK1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28782497 0.76 MAPK1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21708685 0.76 KMT2A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-107001241-A Novel ascomycete amides 亥姆霍兹感染研究中心有限公司 2017-08-01 CN disclosed
CN-105793424-A Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2016-07-20 CN disclosed