SCHEMBL7767456

SCHEMBL7767456

C=C1CC(C(C)(C)SCc2ccccc2)N(CCCCCN)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PRMT1 Q99873 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
PTGER4 P35408 1/20 0.31
SSTR4 P31391 1/20 0.30
SSTR5 P35346 1/20 0.30

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
SCHEMBL7762197 0.86 ACHE (0.45) SIGMAR1
SCHEMBL7766819 0.83 MEN1 (0.36) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7764943 0.78 MEN1 (0.42)
SCHEMBL7765650 0.76 MEN1 (0.45) SIGMAR1
SCHEMBL7767457 0.71 EHMT2 (0.38)
SCHEMBL7765797 0.70 KMT2A (0.38) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7769361 0.68 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7767441 0.68 MEN1 (0.35) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7766761 0.66 CYP3A4 (0.40) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7769344 0.65 MEN1 (0.36) CYP1A2CYP3A4CYP2D6PRMT1

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