SCHEMBL7765802

SCHEMBL7765802

COc1ccc(CSCC2CC(CSCc3ccc(OC)cc3)C(=O)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.54
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
DAO P14920 1/20 0.40
POLB P06746 1/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
GRM2 Q14416 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
IDO1 P14902 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7762186 0.85 POLB (0.41) CRBNDAOPOLBKMT2AMMP13
SCHEMBL7767198 0.82 CRBN (0.49) CRBNPOLBKMT2AMEN1GAA
SCHEMBL7767482 0.81 CRBN (0.48) CRBNMMP1MMP9DAOGLA
SCHEMBL9196423 0.77 CRBN (0.50) CRBNMMP1MMP9MMP2MMP3
SCHEMBL7764957 0.76 CRBN (0.48) CRBNMMP1MMP9DAOGRM2
SCHEMBL9238634 0.74 POLB (0.42) POLBKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6768648 0.71 KCNA5 (0.43) MMP1MMP9POLBMMP2MMP3
SCHEMBL7764888 0.70 CRBN (0.43) CRBNPOLBKMT2AMEN1GAA
SCHEMBL62037 0.69 IDO1 (0.59) IDO1GAAALDH1A1SMN1; SMN2
SCHEMBL6624910 0.67 IDO1 (0.57) IDO1GAAALDH1A1PKMSMN1; SMN2

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