SCHEMBL29027660

SCHEMBL29027660

CCC(O)CN(C)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CDK4 P11802 1/20 0.39
KDM1A O60341 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL863049 0.78 TAAR1 (0.50) LMNALTA4H
SCHEMBL29027684 0.75 LMNA (0.55) LMNAKDM4EMAPK1CYP2D6ADRB2
SCHEMBL166337 0.74 LMNA (0.64) LMNAPOLBKDM4ECYP2D6ADRB2
SCHEMBL14923120 0.74 DNM1 (0.59) LMNAPOLBKDM4EMAPK1MEN1
SCHEMBL79622 0.73 TSHR (0.37) KDM4EL3MBTL1
SCHEMBL11675994 0.72 LTA4H (0.43) LMNAPOLBKDM4EMAPK1CYP2D6
SCHEMBL15296872 0.72 POLB (0.53) LMNAPOLBKDM4EMAPK1CYP2D6
SCHEMBL11253522 0.72 CHRNB2 (0.52) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL12212607 0.71 KDM4E (0.59) LMNAPOLBKDM4EMAPK1CYP2D6
SCHEMBL258823 0.70 HIF1A (0.75) LMNAPOLBCYP2D6ADRB2ADRB1

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-116351103-A Chromatography medium and preparation method and application thereof 百林科(兰州)新材料有限公司 2023-06-30 CN disclosed