SCHEMBL7766792

SCHEMBL7766792

CC(C)(S)[C@H]1C[C@@H](CS)C(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMO Q99835 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
SCHEMBL7764862 0.79 EHMT2 (0.47) EHMT2TSHRCYP3A4CYP2C19MMP1
SCHEMBL9381553 0.72 EHMT2 (0.38) EHMT2TSHRCYP3A4CYP2C19RXFP1
SCHEMBL7762226 0.70 CRBN (0.40) EHMT2TSHRCYP3A4CYP2C19RXFP1
SCHEMBL7765779 0.70 CRBN (0.40) EHMT2TSHRCYP3A4CYP2C19RXFP1
SCHEMBL7764867 0.66 MEN1 (0.40) EHMT2MMP1MMP9ALDH1A1MEN1
SCHEMBL7769377 0.66 CRBN (0.39) EHMT2TSHRCYP3A4CYP2C19MMP1
SCHEMBL30748807 0.66 HCRTR1 (0.47) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL30749017 0.66 HCRTR1 (0.47) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL10696574 0.65 TSHR (0.51) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL17426060 0.64 EHMT2 (0.51) EHMT2TSHRCYP3A4CYP2C19ALDH1A1

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