SCHEMBL4258312

SCHEMBL4258312

O=C(C[S])c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.64
WNT3A P56704 8/20 0.64
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAOB P27338 3/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL5808134 0.89 ATM (0.70) CTNNB1WNT3AALDH1A1HDAC3HDAC4
SCHEMBL2237626 0.85 MEN1 (0.76) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL29458253 0.85 MEN1 (0.76) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL6486626 0.84 CTNNB1 (0.66) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL4865452 0.84 CTNNB1 (0.66) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL1092123 0.82 ATM (0.81) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL13785040 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL7253369 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL2843731 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL29639737 0.82 ATM (0.81) CTNNB1WNT3AALDH1A1MAPK1MEN1

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
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed