SCHEMBL30846145

SCHEMBL30846145

NC(=O)OC1(c2ccc3ccc4cccc5ccc2c3c45)C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
GUSB P08236 1/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 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
SCHEMBL29265482 0.74 KMT2A (0.37) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL28344519 0.70 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTCYP1A2
SCHEMBL29837346 0.59 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTGUSB
SCHEMBL1535021 0.59 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTGUSB
SCHEMBL15085001 0.59 KMT2A (0.53) KDM4EALDH1A1HPGDMAPTGUSB
Pyrene SCHEMBL27932533 0.58 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGUSB
Pyrene SCHEMBL27931631 0.57 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL30846143 0.57 ALDH1A1 (0.72) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL28110727 0.57 GUSB (0.54) KDM4EALDH1A1HPGDMAPTGUSB
SCHEMBL17183786 0.57 GUSB (0.50) KDM4EALDH1A1HPGDMAPTGUSB

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-118027221-A Polysaccharide derivative, preparation method and organic room-temperature phosphorescent ink containing polysaccharide derivative and preparation method 中国科学院化学研究所 2024-05-14 CN disclosed