SCHEMBL4780708

SCHEMBL4780708

CCS(=O)(=O)[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHAT P28329 1/20 0.37
RELA Q04206 1/20 0.36
NR1I2 O75469 1/20 0.36
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5330913 0.85 PSIP1 (0.40) PSIP1ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL6756044 0.78 TDP1 (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL6754918 0.78 TDP1 (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL6755927 0.78 TDP1 (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL5696904 0.77 MAPT (0.46) MEN1KMT2ANPC1L3MBTL1CYP1A2
SCHEMBL6649903 0.77 HSD17B10 (0.44) ALDH1A1MEN1KMT2ACA2CYP1A2
SCHEMBL29232591 0.77 CA2 (0.50) ALDH1A1KMT2ACA2TSHR
SCHEMBL12513073 0.77 PPARG (0.50) ALDH1A1KMT2ANPC1L3MBTL1GLA
SCHEMBL5872294 0.77 PPARG (0.50) ALDH1A1KMT2ANPC1L3MBTL1GLA
SCHEMBL9985955 0.77 PPARG (0.50) ALDH1A1KMT2ANPC1L3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135386-A1 METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-09-26 EP claimed
WO-2000034271-A1 METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO claimed
WO-2000034247-A2 METHOD FOR PRODUCING PYRAZOLYLBENZOYL DERIVATIVES AND NOVEL PYRAZOLYLBENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO claimed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO disclosed