SCHEMBL7764884

SCHEMBL7764884

C=C1CC(C(C)CSCc2ccccc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.36
ACE P12821 1/20 0.36
S100A4 P26447 1/20 0.35
IDO1 P14902 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
CTSD P07339 1/20 0.33
MAPT P10636 1/20 0.33
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
METAP2 P50579 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 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
SCHEMBL7766815 0.75 CRBN (0.43) CRBNS100A4IDO1CTSDMAPT
SCHEMBL7769294 0.74 CRBN (0.42) CRBNACES100A4SDCBPSDC2
SCHEMBL7764873 0.71 CYP2C19 (0.41) CRBNSMN1; SMN2
SCHEMBL7766761 0.70 CYP3A4 (0.40) CRBNS100A4IDO1MAPTSMN1; SMN2
SCHEMBL7766827 0.69 CYP2C19 (0.39) CRBNSMN1; SMN2
SCHEMBL7765770 0.68 CYP2C19 (0.38) CRBNSMN1; SMN2
SCHEMBL28130589 0.66 ACE (0.44) ACES100A4PPARGPPARAMETAP2
SCHEMBL9217462 0.66 ACE (0.44) ACES100A4PPARGPPARAMETAP2
SCHEMBL7764999 0.66 ALDH1A1 (0.37) MAPTSMN1; SMN2
SCHEMBL7764980 0.66 CYP3A4 (0.35) IDO1

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