SCHEMBL7609607

SCHEMBL7609607

Cc1cccc2c1C(=O)CC(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
CREBBP Q92793 3/20 0.45
PBRM1 Q86U86 1/20 0.44
MAOA P21397 8/20 0.43
MAOB P27338 4/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPI P09923 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GCGR P47871 1/20 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
SCHEMBL30964228 1.00 BRD4 (0.45) BRD4CREBBPPBRM1MAOAMAOB
SCHEMBL28813644 0.81 MAOA (0.59) BRD4CREBBPPBRM1MAOAMAOB
SCHEMBL31398716 0.81 MAOA (0.50) BRD4CREBBPMAOAMAOBKDM4E
SCHEMBL4596846 0.76 KDM4E (0.43) BRD4CREBBPMAOAMAOBKDM4E
SCHEMBL7947753 0.74 KDM4E (0.47) BRD4CREBBPMAOAMAOBKDM4E
SCHEMBL16432621 0.74 AKR1B1 (0.40) BRD4CREBBPPBRM1MAOAMAOB
SCHEMBL9819236 0.73 MAOB (0.61) BRD4CREBBPPBRM1MAOBKDM4E
SCHEMBL69392 0.73 MAOB (0.61) BRD4CREBBPPBRM1MAOBKDM4E
SCHEMBL15147107 0.73 MAOB (0.61) BRD4CREBBPPBRM1MAOBKDM4E
SCHEMBL31217595 0.73 BCHE (0.40) BRD4CREBBPMAOAMAOBPOLL

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-1166791-A2 Antipsoriatic compositions comprising an asphodelus extract, method of making, and method of using Moady, Said (US) 2002-01-02 EP disclosed