SCHEMBL7765877

SCHEMBL7765877

COc1ccc(CSC[C@@H]2C[C@H](C(C)(C)SCc3ccc(OC)cc3)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38

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
SCHEMBL7764881 1.00 MMP1 (0.46) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7762208 1.00 MMP1 (0.46) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7765779 0.92 CRBN (0.40) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7764867 0.89 MEN1 (0.40) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7762226 0.83 CRBN (0.40) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7764893 0.82 CRBN (0.36) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7769377 0.79 CRBN (0.39) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7765650 0.77 MEN1 (0.45) MMP1MMP9MEN1KMT2AALDH1A1
SCHEMBL7762198 0.75 CRBN (0.39) MMP1MMP9CRBNMEN1KMT2A
SCHEMBL7767479 0.75 CRBN (0.39) MMP1MMP9CRBNMEN1KMT2A

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