SCHEMBL7769361

SCHEMBL7769361

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PRMT1 Q99873 1/20 0.40
EHMT2 Q96KQ7 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B2 P37059 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32

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 0.81 MEN1 (0.36) CYP1A2CYP3A4CYP2D6PRMT1EHMT2
SCHEMBL7765809 0.79 EHMT2 (0.42) CYP3A4EHMT2MEN1KMT2AALDH1A1
SCHEMBL7765797 0.76 KMT2A (0.38) CYP1A2CYP3A4CYP2D6PRMT1EHMT2
SCHEMBL7764943 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1THRB
SCHEMBL7764955 0.75 EHMT2 (0.38) EHMT2MEN1KMT2AALDH1A1HSD17B2
SCHEMBL7766697 0.74 EHMT2 (0.38) EHMT2MEN1KMT2AALDH1A1HCRTR1
SCHEMBL7762198 0.74 CRBN (0.39) CYP1A2CYP3A4CYP2D6PRMT1EHMT2
SCHEMBL7767479 0.74 CRBN (0.39) CYP1A2CYP3A4CYP2D6PRMT1EHMT2
SCHEMBL7765650 0.73 MEN1 (0.45) MEN1KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL7767457 0.73 EHMT2 (0.38) EHMT2MEN1KMT2ARXFP1ALDH1A1

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