SCHEMBL7767441

SCHEMBL7767441

CC=C1CC(C(C)(C)SCc2ccccc2)N(Cc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRMT1 Q99873 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
RXFP1 Q9HBX9 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7766819 0.83 MEN1 (0.36) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7764943 0.78 MEN1 (0.42) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7765650 0.76 MEN1 (0.45) MEN1KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL7765815 0.73 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6PRMT1
SCHEMBL7765779 0.71 CRBN (0.40) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7767457 0.70 EHMT2 (0.38) MEN1KMT2AEHMT2RXFP1TSHR
SCHEMBL7765797 0.69 KMT2A (0.38) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7767483 0.69 EHMT2 (0.35) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7769344 0.68 MEN1 (0.36) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7767456 0.68 CYP1A2 (0.36) CYP3A4CYP1A2CYP2D6PRMT1

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