SCHEMBL7761971

SCHEMBL7761971

Cc1ccc(C(=O)SCC2CC(CSC(=O)c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36

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 0.92 CYP2C19 (0.40) HDAC6MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7762203 0.88 HDAC6 (0.44) HDAC6MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7765831 0.86 ACE (0.44) TP53MEN1KMT2AGAACYP3A4
SCHEMBL7764939 0.76 EHMT2 (0.44) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7762178 0.72 CRBN (0.46) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7765837 0.68 EHMT2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7764862 0.66 EHMT2 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6399311 0.65 CCR2 (0.49) HDAC6NPSR1
SCHEMBL6399165 0.65 CCR2 (0.49) HDAC6NPSR1
SCHEMBL6399159 0.65 CCR2 (0.49) HDAC6NPSR1

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