SCHEMBL29773102

SCHEMBL29773102

Cc1ccc(O)c(C(=O)CCCCl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
CSNK2A1 P68400 1/20 0.53
HTT P42858 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PLA2G1B P04054 1/20 0.47
XBP1 P17861 1/20 0.47
ALOX12 P18054 1/20 0.47
KCNH2 Q12809 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL6742873 0.90 MEN1 (0.56) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL10786547 0.88 CSNK2A1 (0.58) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL8712689 0.85 CSNK2A1 (0.55) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL11213739 0.82 CSNK2A1 (0.60) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL9768518 0.82 HTT (0.58) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL9117698 0.82 RAB9A (0.52) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL8085885 0.82 HTT (0.58) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL10596742 0.82 HTT (0.58) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL27944650 0.82 HTT (0.58) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL27954307 0.82 HTT (0.58) MEN1KMT2ARAB9AKDM4ELMNA

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-4274828-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2023-11-15 EP disclosed
WO-2022150174-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2022-07-14 WO disclosed