SCHEMBL28969657

SCHEMBL28969657

CC(C)(C)OC(=O)CCCCCCCCCCOc1ccc(C2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RNF114 Q9Y508 1/20 0.64
▸ YAP1 P46937 2/20 0.59
▸ TEAD4 Q15561 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CACNA1H O95180 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BCL2 P10415 3/20 0.47
▸ BECN1 Q14457 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL28969681 0.89 RNF114 (0.70) RNF114YAP1TEAD4L3MBTL1CACNA1H
SCHEMBL25122626 0.81 RNF114 (0.83) RNF114YAP1TEAD4L3MBTL1CACNA1H
SCHEMBL23518782 0.78 RNF114 (0.78) RNF114YAP1TEAD4L3MBTL1CACNA1H
SCHEMBL27465865 0.77 RNF114 (0.88) RNF114YAP1TEAD4L3MBTL1NPSR1
SCHEMBL29129845 0.77 RNF114 (0.69) RNF114YAP1TEAD4L3MBTL1CACNA1H
SCHEMBL23518678 0.76 RNF114 (0.91) RNF114YAP1TEAD4L3MBTL1CACNA1H
SCHEMBL25810589 0.76 HDAC8 (0.49) L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30688878 0.75 RNF114 (0.88) RNF114YAP1TEAD4CACNA1HBCL2
SCHEMBL16938347 0.68 MEN1 (0.68) RNF114YAP1TEAD4L3MBTL1NPSR1
SCHEMBL22013863 0.68 MAPT (0.50) L3MBTL1KDM4EALDH1A1LMNASMN1; SMN2

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
CN-115819423-A ProTAC compound of Reidesciclovir or intermediate thereof, preparation method thereof and application of anti-EV 71 武汉大学 2023-03-21 — — CN disclosed
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