SCHEMBL7765767

SCHEMBL7765767

CC(SCc1ccccc1)C1CC(C(C)(C)SCc2ccccc2)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRMT1 Q99873 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
ACE P12821 1/20 0.30
EPHX1 P07099 3/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL7767445 0.76 CRBN (0.42) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL7767483 0.74 EHMT2 (0.35) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL7766761 0.69 CYP3A4 (0.40) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL7765815 0.68 CYP3A4 (0.38) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL3551280 0.66 CYP2D6 (0.47) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL7767482 0.63 CRBN (0.48) SMN1; SMN2ALDH1A1MAPTPPARGPPARA
SCHEMBL7767450 0.62 CRBN (0.41) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL7766813 0.61 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6PRMT1MAPT
SCHEMBL10136448 0.60 CYP2D6 (0.55) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7765004 0.59 KIF11 (0.33)

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