SCHEMBL31081024

SCHEMBL31081024

Cc1ccc2c(Oc3ccccc3)c3ccccc3c(Oc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GLA P06280 2/20 0.50
MAPT P10636 2/20 0.50
LTA4H P09960 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 1/20 0.40
LMNA P02545 3/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL28677270 0.82 KDM4E (0.49) KMT2AKDM4EGLAMAPTTSHR
SCHEMBL5404593 0.81 HTT (0.49) KMT2AKDM4EGLAMAPTHTT
SCHEMBL31008769 0.81 HTT (0.49) KMT2AKDM4EGLAMAPTHTT
SCHEMBL4898172 0.81 KDM4E (0.70) KMT2AKDM4EGLAMAPTLTA4H
SCHEMBL30003990 0.81 KDM4E (0.70) KMT2AKDM4EGLAMAPTLTA4H
SCHEMBL30463384 0.80 ALDH1A1 (0.55) KMT2AKDM4EGLAMAPTHTT
SCHEMBL16920392 0.79 KDM4E (0.57) KMT2AKDM4EGLAMAPTLTA4H
SCHEMBL23271868 0.79 DRD2 (0.45) KMT2AMAPTTSHRALDH1A1LMNA
SCHEMBL30003363 0.79 DRD2 (0.45) KMT2AMAPTTSHRALDH1A1LMNA
SCHEMBL29510106 0.78 MEN1 (0.43) KMT2ATSHRHTTSMN1; SMN2MEN1

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
CN-113454090-B Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof 川崎化成工业株式会社 2024-08-23 CN disclosed