SCHEMBL27369971

SCHEMBL27369971

COCCCCOCCN1CCCC(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
RECQL P46063 1/20 0.44
HRH3 Q9Y5N1 8/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL20234908 0.93 KDM4E (0.49) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL12449626 0.92 SIGMAR1 (0.49) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL12516 0.92 SIGMAR1 (0.49) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL20231628 0.92 HRH3 (0.50) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL20231633 0.90 KDM4E (0.48) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL12720 0.88 ALDH1A1 (0.48) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL12449627 0.88 ALDH1A1 (0.48) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL20234909 0.86 KDM4E (0.55) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL20234905 0.85 KDM4E (0.51) KMT2AKDM4ETDP1RECQLHRH3
SCHEMBL20234910 0.84 HRH3 (0.56) KMT2AKDM4ETDP1RECQLHRH3

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-2024054954-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed