SCHEMBL7765815

SCHEMBL7765815

CC=C1CC(C(C)(C)SCc2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PRMT1 Q99873 1/20 0.38
LMNA P02545 1/20 0.31
GRM2 Q14416 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
SCHEMBL7766761 0.81 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6PRMT1GRM2
SCHEMBL7767441 0.73 MEN1 (0.35) CYP3A4CYP1A2CYP2D6PRMT1
SCHEMBL3551280 0.66 CYP2D6 (0.47) CYP3A4CYP1A2CYP2D6PRMT1LMNA
SCHEMBL7764980 0.66 CYP3A4 (0.35) CYP3A4CYP1A2CYP2D6PRMT1GRM2
SCHEMBL5680420 0.62 CYP2D6 (0.63) CYP3A4CYP1A2CYP2D6PRMT1LMNA
SCHEMBL3552521 0.62 CYP2D6 (0.53) CYP3A4CYP1A2CYP2D6PRMT1LMNA
SCHEMBL7766819 0.62 MEN1 (0.36) CYP3A4CYP1A2CYP2D6PRMT1
SCHEMBL7766813 0.62 CYP1A2 (0.36) CYP3A4CYP1A2CYP2D6PRMT1
SCHEMBL11800508 0.61 CYP1A2 (0.49) CYP3A4CYP1A2CYP2D6PRMT1LMNA
SCHEMBL10136448 0.60 CYP2D6 (0.55) CYP3A4CYP1A2CYP2D6PRMT1LMNA

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