SCHEMBL7764873

SCHEMBL7764873

C=C1CC(CCSCc2ccccc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
GBA1 P04062 2/20 0.40
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35
ASAH1 Q13510 1/20 0.33
GAA P10253 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
AR P10275 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
SCHEMBL7766827 0.92 CYP2C19 (0.39) CYP2C19GBA1CYP3A4CYP1A2CYP2D6
SCHEMBL7765770 0.91 CYP2C19 (0.38) CYP2C19GBA1CYP3A4CYP1A2CYP2D6
SCHEMBL7766815 0.87 CRBN (0.43) CYP2C19CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL20395688 0.75 CYP1A2 (0.42) CYP2C19GBA1CYP3A4CYP1A2CYP2D6
SCHEMBL7764999 0.74 ALDH1A1 (0.37) CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL7764865 0.72 CRBN (0.45) CYP2C19GBA1CYP3A4CYP1A2CYP2D6
SCHEMBL15178943 0.72 CYP2C19 (0.47) CYP2C19GBA1CYP3A4CYP1A2CYP2D6
SCHEMBL7764884 0.71 CRBN (0.36) SMN1; SMN2CRBN
SCHEMBL7764957 0.71 CRBN (0.48) CYP3A4ALDH1A1SMN1; SMN2CRBN
SCHEMBL8396285 0.68 KAT2A (0.39) CYP1A2SIRT2

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