SCHEMBL4667233

SCHEMBL4667233

CCOC(=O)Oc1sc2ccccc2c1OCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
NOD2 Q9HC29 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL4632947 0.87 KMT2A (0.57) ALDH1A1KMT2ANOD2LMNAHPGD
SCHEMBL4632948 0.87 KMT2A (0.56) ALDH1A1KMT2ANOD2LMNANPC1
SCHEMBL4633861 0.86 ALDH1A1 (0.48) ALDH1A1KMT2ANOD2LMNANPC1
SCHEMBL1385589 0.85 ALDH1A1 (0.58) ALDH1A1KMT2ANOD2LMNAHPGD
SCHEMBL4633907 0.85 KMT2A (0.47) ALDH1A1KMT2ANOD2LMNANPC1
SCHEMBL4633564 0.85 LMNA (0.49) ALDH1A1KMT2ANOD2LMNAHPGD
SCHEMBL4632923 0.85 KMT2A (0.47) ALDH1A1KMT2ANOD2LMNAHPGD
SCHEMBL4667132 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ANOD2LMNASENP5
SCHEMBL4634476 0.83 RAB9A (0.47) ALDH1A1KMT2ANOD2LMNANPC1
SCHEMBL4634440 0.79 SENP5 (0.52) ALDH1A1KMT2ALMNAHPGDNPC1

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-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed