SCHEMBL7765837

SCHEMBL7765837

C=CCSCC1CC(CSCC=C)N(Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.39
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 2/20 0.33

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
SCHEMBL7762178 0.84 CRBN (0.46) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7764939 0.78 EHMT2 (0.44) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7764893 0.74 CRBN (0.36) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7283610 0.74 EHMT2 (0.41) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7273849 0.74 TSHR (0.41) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7765831 0.73 ACE (0.44) EHMT2TSHRCYP3A4CYP2C19SMO
SCHEMBL7767518 0.73 CRBN (0.41) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7766834 0.72 CYP2C19 (0.40) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7767480 0.72 CRBN (0.40) EHMT2TSHRCYP3A4CYP2C19LMNA
SCHEMBL7767479 0.71 CRBN (0.39) EHMT2TSHRCYP3A4CYP2C19LMNA

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