SCHEMBL30286256

SCHEMBL30286256

Cc1cc(-c2nccc3cc(CC(C)C)ccc23)c2oc3ccccc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ROCK1 Q13464 1/20 0.31
CSNK2A2 P19784 1/20 0.31

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
SCHEMBL24146492 1.00 ECE1 (0.32) ECE1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25494057 0.89 ECE1 (0.36) ECE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL24146533 0.89 ECE1 (0.32) ECE1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25402355 0.88 MAOB (0.32) ROCK1
SCHEMBL26296905 0.87 ECE1 (0.33) ECE1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25493245 0.86 SCN9A (0.37) ALDH1A1KMT2AKDM4EHPGDNPC1
SCHEMBL24757386 0.85 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL26411244 0.85 SCN9A (0.36) CSNK2A2CSNK2B
SCHEMBL25403395 0.84 SCN9A (0.32)
SCHEMBL24790375 0.84 ROCK1 (0.35) KDM4ESMN1; SMN2ROCK1

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-115873041-A Organic electroluminescent material and device 环球展览公司 2023-03-31 CN disclosed