SCHEMBL7764894

SCHEMBL7764894

CCOC(=O)C/N=C/C(C)(C)SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PRMT1 Q99873 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.37
HSD11B1 P28845 1/20 0.36
METAP2 P50579 1/20 0.36
RECQL P46063 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL7764897 1.00 PPID (0.42) PPIDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL5167100 0.76 NPC1 (0.48) PPIDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7764876 0.74 CYP3A4 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7764872 0.74 CYP3A4 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9712251 0.72 MMP8 (0.52) PPIDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7767447 0.72 HTT (0.46) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL7767444 0.72 HTT (0.46) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL2617527 0.71 MEN1 (0.53) SMN1; SMN2NPC1RAB9ATSHRMEN1
SCHEMBL1973579 0.71 MEN1 (0.53) SMN1; SMN2NPC1RAB9ATSHRMEN1
SCHEMBL1973580 0.71 MEN1 (0.53) SMN1; SMN2NPC1RAB9ATSHRMEN1

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