SCHEMBL5380375

SCHEMBL5380375

COC(=S)c1cc(C)cc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CNR2 P34972 3/20 0.37
ATM Q13315 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LMNA P02545 2/20 0.34
ALOX12 P18054 2/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9169871 0.87 HCAR1 (0.50) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL27481953 0.78 HDAC8 (0.50) MAPTALDH1A1
SCHEMBL31211908 0.76 ATM (0.61) ALDH1A1ATMLMNATDP1
SCHEMBL9436697 0.75 TDP1 (0.54) MAPTGAAALDH1A1LMNAALOX12
SCHEMBL5384179 0.70 TPMT (0.55) TPMTPRSS1PRSS2C1SPRSS3
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.70 CNR2 (0.66) TPMTMAPTGAAALDH1A1CNR2
SCHEMBL3371815 0.69 PRSS1 (0.56) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL3551956 0.69 CES2 (0.48) MAPTGAA
SCHEMBL22839714 0.68 TPMT (0.41) TPMTPRSS1PRSS2C1SPRSS3
Methoxymethane SCHEMBL27501177 0.67 ALDH1A1 (0.53) TPMTPRSS1PRSS2C1SPRSS3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205428-B2 Thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2007-04-17 US disclosed
EP-1219667-B1 Novel thioether derivatives, their method for production and use COMM RES LAB INDEPENDENT ADMIN (JP) 2004-08-04 EP disclosed
US-6630578-B2 Which respond immediately by emission of light when stimulated with light or electric energy, and are useful as switching material of memory COMMUNICATIONS RESEARCH LABORATORY, INDEPENDENT ADMINISTRATIVE INSTITUTION (JP) 2003-10-07 US disclosed
US-20030171507-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2003-09-11 US disclosed
EP-1219667-A2 Novel thioether derivatives, their method for production and use Communications Research Laboratory, Independent Administrative Institution (JP) 2002-07-03 EP disclosed
US-20020072583-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2002-06-13 US disclosed