SCHEMBL7762182

SCHEMBL7762182

CC(=O)SC[C@@H]1C[C@H](C(C)(C)SC(C)=O)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.37
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.31
MEN1 O00255 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
SCHEMBL7766807 0.83 POLB (0.33) POLBKMT2AMEN1
SCHEMBL7769337 0.78 KMT2A (0.33) ACEKMT2A
SCHEMBL7767499 0.71 POLB (0.31) POLB
SCHEMBL7301588 0.65 HTT (0.53) ACEPOLBKMT2AMEN1
SCHEMBL8029112 0.65 HTT (0.53) ACEPOLBKMT2AMEN1
SCHEMBL7767497 0.64
SCHEMBL7317058 0.61 HTT (0.71) POLBKMT2AMEN1
SCHEMBL14280313 0.60 ACE (0.37) ACEPOLBATM
SCHEMBL7767464 0.59 TP53 (0.32) KMT2AATM
SCHEMBL22490436 0.58 HTT (0.33) ACEPOLB

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