SCHEMBL13766165

SCHEMBL13766165

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5ccc(OC)cc5c3O2)-c2ccccc2CC4)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ACHE P22303 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 2/20 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
SCHEMBL14444800 0.98 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13880298 0.94 MEN1 (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19221683 0.94 MEN1 (0.32) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13766307 0.93 ALDH1A1 (0.32) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10106920 0.93 ESR1 (0.34) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8927716 0.92 MEN1 (0.32) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14267918 0.91 CYP1A2 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14267914 0.91 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14444798 0.89 DRD2 (0.35) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13766142 0.89 PIN1 (0.31) ALOX5NPY5R

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
EP-1622888-B1 BENZO-, NAPHTHO- AND PHENANTHROCHROMENES SUBSTITUTED WITH AN ARYLAMINE GROUP WITH PHOTOCHROMIC PROPERTIES CORNING INC (US) 2009-07-08 EP disclosed