SCHEMBL29901049

SCHEMBL29901049

Cc1ccc(C=O)cc1COC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CREBBP Q92793 2/20 0.34
ALDH1A3 P47895 2/20 0.33
PTPN1 P18031 2/20 0.33
PDE4B Q07343 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
EP300 Q09472 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
TACR1 P25103 2/20 0.33

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
SCHEMBL14725093 0.80 CREBBP (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL31073145 0.79 ICAM1 (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL29901043 0.79 CREBBP (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL18355699 0.78 TACR1 (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL16425429 0.78 SRC (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8127296 0.77 KDM4C (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5863923 0.75 PDE4B (0.47) ALDH1A1ALDH1A3PTPN1PDE4B
SCHEMBL8759396 0.75 MEN1 (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL378275 0.75 KDM4C (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL19622235 0.75 ICAM1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A

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-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed