SCHEMBL17846160

SCHEMBL17846160

OC(COC1CCCCO1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7097200 0.83 EPHX1 (0.43) MEN1KMT2AKDM4C
SCHEMBL7330307 0.83 MEN1 (0.39) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL13460358 0.82 MEN1 (0.49) MEN1KMT2AKDM4CLMNA
SCHEMBL17846107 0.82 KDM4C (0.38) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL7098095 0.81 KDM4C (0.39) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL10433383 0.81 KDM4C (0.39) MEN1KMT2AKDM4CSLC6A3ALDH1A1
SCHEMBL7980863 0.81 KDM4C (0.45) MEN1KMT2AKDM4CALDH1A1
SCHEMBL10433460 0.80 CREBBP (0.37) MEN1KMT2AKDM4CSLC6A3ITGB1
SCHEMBL10433458 0.80 CREBBP (0.37) MEN1KMT2AKDM4CSLC6A3ITGB1
SCHEMBL10433401 0.80 KDM4C (0.39) MEN1KMT2AKDM4CSLC6A3ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed