SCHEMBL8704137

SCHEMBL8704137

CCOC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CC(O)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
OPRM1 P35372 2/20 0.33
NLRP3 Q96P20 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 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
SCHEMBL8709044 0.91 OPRM1 (0.33) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8705329 0.89 L3MBTL1 (0.35) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8703681 0.88 KDM4E (0.32) MEN1KMT2AALDH1A1KDM4EP2RX7
SCHEMBL8710264 0.87 MEN1 (0.32) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8708095 0.85 SMN1; SMN2 (0.37) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8703912 0.85 SMN1; SMN2 (0.40) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8704132 0.83 KDM4E (0.33) MEN1KMT2AKDM4EP2RX7POLB
SCHEMBL8707703 0.83 KDM4E (0.34) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8704009 0.82 MEN1 (0.33) MEN1KMT2AOPRM1NLRP3MAPK1
SCHEMBL8703631 0.81 MEN1 (0.33) MEN1KMT2AOPRM1NLRP3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed