SCHEMBL27360798

SCHEMBL27360798

C/C=C\c1c(C)oc2c1ccc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A1 P04798 7/20 0.42
CYP1B1 Q16678 7/20 0.42
CYP1A2 P05177 6/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKDC P78527 2/20 0.42
PDE5A O76074 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL19916924 0.83 KMT2A (0.47) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL24118832 0.83 KMT2A (0.44) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL24086787 0.78 KMT2A (0.40) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL19904824 0.77 MCL1 (0.41) ALDH1A1SMN1; SMN2CYP1A2PRKDCESR1
SCHEMBL19916949 0.77 KDM4E (0.60) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL21591537 0.76 KMT2A (0.55) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL23938618 0.75 CYP3A4 (0.35) KDM4EHPGDALDH1A1HSD17B10CYP3A4
SCHEMBL24022933 0.74 IKBKB (0.42) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL23776247 0.73 KDM4E (0.40) KMT2AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL18685767 0.73 KDM4E (0.47) KMT2AKDM4EHPGDL3MBTL1ALDH1A1

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
WO-2024014934-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-01-18 WO disclosed