SCHEMBL9033045

SCHEMBL9033045

O=C1O[C@@H](CS)C[C@H]1CS

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL7767486 1.00 POLB (0.37) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL7767455 0.85 KMT2A (0.36) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL7769357 0.82 ALDH1A1 (0.37) POLBKMT2AMEN1HTTSMN1; SMN2
SCHEMBL576066 0.68 POLB (0.56) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL576794 0.64 KMT2A (0.56) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL20968646 0.64 POLB (0.51) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL9450639 0.64 PRSS1 (0.39) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL9450611 0.64 PRSS1 (0.39) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL9450640 0.64 PRSS1 (0.39) POLBKMT2AMEN1HTTCYP2C9
SCHEMBL14973545 0.63 KMT2A (0.60) KMT2AMEN1HTTCYP2C9SMN1; SMN2

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-0558287-B1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1996-12-04 EP disclosed
US-5292767-A Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0558287-A1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed