SCHEMBL7769357

SCHEMBL7769357

O=C1OC(CCCS)CC1CS

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7767455 0.89 KMT2A (0.36) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL7767486 0.82 POLB (0.37) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL9033654 0.82 POLB (0.37) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL9033045 0.82 POLB (0.37) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL14973545 0.72 KMT2A (0.60) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL9450597 0.70 KMT2A (0.55) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL19222914 0.70 KMT2A (0.35) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL9450600 0.70 KMT2A (0.55) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL3657694 0.70 HTT (0.59) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL14994325 0.70 KMT2A (0.51) ALDH1A1HPGDKMT2AMEN1HTT

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-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP disclosed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed