SCHEMBL30955089

SCHEMBL30955089

COC(=O)c1ccc2c(c1)NCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ACHE P22303 4/20 0.43
TRPV1 Q8NER1 1/20 0.43
ALOX5 P09917 1/20 0.43
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL554225 1.00 MAPT (0.51) MAPTKDM4EPPARGPPARDPPARA
SCHEMBL29906783 0.91 ALDH1A1 (0.47) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL2898350 0.91 ALDH1A1 (0.47) MAPTKDM4EGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL29940234 0.89 ALDH1A1 (0.46) MAPTKDM4EGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL3102567 0.89 ALDH1A1 (0.46) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL29995197 0.88 MAPT (0.68) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL45146 0.88 MAPT (0.68) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL4601022 0.87 NPC1 (0.51) MAPTALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL1856980 0.87 MAPT (0.66) MAPTKDM4EPPARGPPARDPPARA
SCHEMBL29202153 0.83 KDM4E (0.78) MAPTKDM4EPPARGPPARDPPARA

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-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
CN-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 CN disclosed