SCHEMBL5509747

SCHEMBL5509747

COc1nccc(CC(C)=O)c1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNA3 P22001 1/20 0.35
PRMT5 O14744 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL8625559 0.81 TSHR (0.41) L3MBTL1ALDH1A1TSHRKDM4EMAOB
SCHEMBL2799853 0.78 RAB9A (0.43) L3MBTL1ALDH1A1TSHRPKMMAPK1
SCHEMBL8157082 0.73 TSHR (0.44) L3MBTL1ALDH1A1TSHRKDM4EMAOB
SCHEMBL31563540 0.72 L3MBTL1 (0.38) L3MBTL1ALDH1A1TSHRKDM4EPKM
SCHEMBL2801656 0.72 SLC13A5 (0.42) L3MBTL1ALDH1A1TSHRKDM4EPKM
SCHEMBL5072695 0.72 CYP3A4 (0.42) L3MBTL1ALDH1A1SLC13A5LMNAPOLB
SCHEMBL29290711 0.71 BRD4 (0.46) L3MBTL1ALDH1A1TSHRMAOBMAPK1
SCHEMBL5860070 0.69 TSHR (0.34) L3MBTL1ALDH1A1TSHRKDM4EMAOB
Acetone SCHEMBL28740549 0.69 TSHR (0.71) L3MBTL1ALDH1A1TSHRMAOBMAPK1
Acetic Acid SCHEMBL4466285 0.69 TSHR (0.71) L3MBTL1ALDH1A1TSHRMAOBMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP disclosed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 WO disclosed
EP-0946567-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-10-06 EP disclosed
EP-0946566-A1 PRO-DRUGS AND COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-10-06 EP disclosed
WO-1998028304-A1 PRO-DRUGS AND COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-07-02 WO disclosed
WO-1998028305-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-07-02 WO disclosed