SCHEMBL7765831

SCHEMBL7765831

CC(=O)SCC1CC(CSC(C)=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.44
MTNR1A P48039 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
SMO Q99835 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7766834 0.89 CYP2C19 (0.40) MTNR1ACYP3A4TSHRCYP2C19EHMT2
SCHEMBL7761971 0.86 TP53 (0.42) CYP3A4TSHRCYP2C19TP53GAA
SCHEMBL7762203 0.83 HDAC6 (0.44) MTNR1ACYP3A4TSHRMEN1KMT2A
SCHEMBL7764939 0.81 EHMT2 (0.44) CYP3A4TSHRCYP2C19EHMT2GAA
SCHEMBL7762178 0.77 CRBN (0.46) CYP3A4TSHRCYP2C19EHMT2GAA
SCHEMBL7765837 0.73 EHMT2 (0.39) CYP3A4TSHRCYP2C19EHMT2SMO
SCHEMBL7764862 0.71 EHMT2 (0.47) CYP3A4TSHRCYP2C19EHMT2SMO
SCHEMBL9736566 0.70 EHMT2 (0.41) TSHREHMT2BRD4TP53GAA
SCHEMBL9736877 0.70 EHMT2 (0.41) TSHREHMT2BRD4TP53GAA
SCHEMBL7762198 0.69 CRBN (0.39) CYP3A4TSHRCYP2C19EHMT2GAA

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