SCHEMBL28969681

SCHEMBL28969681

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RNF114 Q9Y508 1/20 0.70
▸ YAP1 P46937 2/20 0.64
▸ TEAD4 Q15561 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HDAC4 P56524 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CACNA1H O95180 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL28969657 0.89 RNF114 (0.64) RNF114YAP1TEAD4L3MBTL1ACHE
SCHEMBL25122626 0.82 RNF114 (0.83) RNF114YAP1TEAD4L3MBTL1KDM4E
SCHEMBL30688878 0.81 RNF114 (0.88) RNF114YAP1TEAD4ACHECACNA1H
SCHEMBL29129845 0.81 RNF114 (0.69) RNF114YAP1TEAD4L3MBTL1HDAC4
SCHEMBL23518678 0.80 RNF114 (0.91) RNF114YAP1TEAD4L3MBTL1ACHE
SCHEMBL23518782 0.80 RNF114 (0.78) RNF114YAP1TEAD4L3MBTL1ACHE
SCHEMBL27465865 0.79 RNF114 (0.88) RNF114YAP1TEAD4L3MBTL1ACHE
SCHEMBL21392773 0.73 YAP1 (1.00) RNF114YAP1TEAD4MAOAMAOB
SCHEMBL4284638 0.72 PPARA (0.58) HDAC4HDAC8
SCHEMBL8355954 0.72 PPARA (0.61) L3MBTL1HDAC4HDAC8KDM4EALDH1A1

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
CN-115819423-B PROTAC compound of adefovir or intermediate thereof, preparation method thereof and application of PROTAC compound in EV71 resistance 武汉大学 2024-11-22 — — CN disclosed
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
Send feedback