SCHEMBL9166285

SCHEMBL9166285

COc1cc(/C=C/c2oc3c(CC(=O)O)c(OC)ccc3c(=O)c2C)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
HPGD P15428 1/20 0.40
HTR2C P28335 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TUBB1 Q9H4B7 6/20 0.39
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39

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
SCHEMBL9166291 1.00 MEN1 (0.50) MEN1KMT2ABACE1KDM4EALDH1A1
SCHEMBL9164164 0.91 NFE2L2 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9164174 0.91 NFE2L2 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9162488 0.89 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9162496 0.89 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9163981 0.86 LTB4R (0.42) MEN1KMT2A
SCHEMBL9163987 0.86 LTB4R (0.42) MEN1KMT2A
SCHEMBL9157208 0.80 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9165474 0.74 MAPT (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9159332 0.69 MAOA (0.43) MEN1KMT2AKDM4EALDH1A1HTR1A

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-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed