SCHEMBL24377960

SCHEMBL24377960

CCN(CCSC)C[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)CCl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.58
▸ HTT P42858 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL24083864 0.85 AR (0.67) ARHTTHIF1AKDM4EMAPK1
SCHEMBL12515785 0.79 AR (0.88) ARHTTHIF1AKDM4EMAPK1
SCHEMBL6131219 0.79 AR (0.88) ARHTTHIF1AKDM4EMAPK1
SCHEMBL16281213 0.78 AR (0.85) ARHTTHIF1AKDM4EMAPK1
SCHEMBL24083793 0.77 AR (0.63) ARHTTHIF1AKDM4EMAPK1
SCHEMBL13189123 0.77 AR (0.78) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL16232997 0.77 AR (0.78) ARHTTHIF1AKDM4EMAPK1
SCHEMBL13513162 0.77 AR (0.78) ARHTTHIF1AKDM4EMAPK1
SCHEMBL24083694 0.77 AR (0.56) ARHTTHIF1AKDM4EMAPK1
SCHEMBL26761198 0.77 AR (0.56) ARHTTHIF1AKDM4EMAPK1

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
EP-3988541-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2022-04-27 — — EP disclosed
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