SCHEMBL7769337

SCHEMBL7769337

CC(C)(SC(=O)c1ccccc1)[C@H]1C[C@@H](CSC(=O)c2ccccc2)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
GPR139 Q6DWJ6 1/20 0.32
ACE P12821 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11525661 0.64 KMT2A (0.41) KMT2AGPR139RAB9ANPC1ALDH1A1
SCHEMBL2774081 0.62 NPC1 (0.44) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL9032933 0.62 KDM4E (0.34) KMT2AGPR139ACERAB9ANPC1
SCHEMBL9031327 0.62 KDM4E (0.34) KMT2AGPR139ACERAB9ANPC1
SCHEMBL7766834 0.61 CYP2C19 (0.40) KMT2AALDH1A1
SCHEMBL9301261 0.60 KMT2A (0.44) KMT2AGPR139RAB9ANPC1ALDH1A1
SCHEMBL1356205 0.60 TSHR (0.41) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL17236360 0.59 KMT2A (0.46) KMT2AGPR139RAB9ANPC1ALDH1A1
SCHEMBL7436212 0.59 KMT2A (0.46) KMT2AGPR139RAB9ANPC1ALDH1A1
SCHEMBL8311878 0.59 KMT2A (0.46) KMT2AGPR139RAB9ANPC1ALDH1A1

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