SCHEMBL4090044

SCHEMBL4090044

CCOc1ccc(CC(=O)Nc2ccc3cc(C(=O)NO)sc3c2)cc1OCC

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.68
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HDAC2 Q92769 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL1884367 0.88 HDAC1 (0.77) HDAC1LMNASMN1; SMN2POLBALDH1A1
SCHEMBL1880667 0.81 HDAC1 (1.00) HDAC1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1889591 0.79 HDAC1 (0.79) HDAC1LMNASMN1; SMN2POLBMAPT
SCHEMBL1891506 0.79 HDAC1 (1.00) HDAC1SMN1; SMN2
SCHEMBL1890073 0.79 HDAC1 (0.67) HDAC1LMNASMN1; SMN2POLBALDH1A1
SCHEMBL1884503 0.79 HDAC1 (1.00) HDAC1
SCHEMBL1893628 0.78 HDAC1 (0.79) HDAC1LMNAPOLBALDH1A1MAPT
SCHEMBL3503923 0.77 HDAC1 (0.78) HDAC1HDAC2
SCHEMBL12663156 0.77 HDAC1 (0.78) HDAC1MAPT
SCHEMBL1888025 0.76 HDAC1 (0.74) HDAC1LMNAHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO claimed