SCHEMBL31073145

SCHEMBL31073145

O=Cc1ccc(COC2CCCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM4C Q9H3R0 1/20 0.37
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MGLL Q99685 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL6202374 0.86 KDM4C (0.46) MEN1KMT2AALDH1A1KDM4EKDM4C
SCHEMBL8127296 0.83 KDM4C (0.42) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL26908739 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EKDM4C
SCHEMBL4128438 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EKDM4C
SCHEMBL4317051 0.81 ICAM1 (0.45) ICAM1SELEMEN1KMT2AALDH1A1
SCHEMBL22070471 0.81 MGLL (0.46) ICAM1SELEMEN1KMT2AALDH1A1
SCHEMBL15361109 0.81 KDM4C (0.47) ICAM1SELEMEN1KMT2AALDH1A1
SCHEMBL14650432 0.81 ICAM1 (0.38) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL15831452 0.81 ICAM1 (0.38) ICAM1SELEMEN1KMT2AKDM4C
SCHEMBL2830733 0.80 ICAM1 (0.44) ICAM1SELEMEN1KMT2AALDH1A1

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
WO-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed