SCHEMBL7767447

SCHEMBL7767447

COC(=O)c1ccc(CN=CC(C)(C)SCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
MGLL Q99685 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7767444 1.00 HTT (0.46) HTTGAACA1CA2TSHR
SCHEMBL7764872 0.83 CYP3A4 (0.47) HTTGAAALDH1A1HPGDRAB9A
SCHEMBL7764876 0.83 CYP3A4 (0.47) HTTGAAALDH1A1HPGDRAB9A
SCHEMBL7764925 0.81 LTA4H (0.45) HTTTSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7764929 0.81 LTA4H (0.45) HTTTSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2215429 0.74 L3MBTL1 (0.60) HTTCA1CA2TSHRALDH1A1
SCHEMBL2215434 0.74 L3MBTL1 (0.60) HTTCA1CA2TSHRALDH1A1
SCHEMBL7764897 0.72 PPID (0.42) TSHRALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5697514 0.70 LOXL2 (0.54) CA1CA2ALDH1A1HPGDRAB9A
SCHEMBL1928912 0.70 TSHR (0.67) CA1CA2TSHRALDH1A1HPGD

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