SCHEMBL7533296

SCHEMBL7533296

CCOC(=O)CCc1c[nH]c(S)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL8184986 0.85 KDM4E (0.41) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL8954354 0.78 MAPT (0.45) MAPTCYP4F2CYP4A11LMNAKDM4E
SCHEMBL8082604 0.76 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7532836 0.76 CHRM1 (0.37) HSD17B10CYP2C19
SCHEMBL4872569 0.76 HSD17B10 (0.49) MAPTCYP4F2CYP4A11LMNAKDM4E
SCHEMBL7533293 0.75 CAPN1 (0.41) SMN1; SMN2
SCHEMBL7138794 0.74 CYP4F2 (0.46) MAPTCYP4F2CYP4A11LMNAKDM4E
SCHEMBL15556376 0.73 MAPT (0.52) MAPTCYP4F2CYP4A11LMNAKDM4E
SCHEMBL8448307 0.73 CYP4F2 (0.45) MAPTCYP4F2CYP4A11LMNAKDM4E
SCHEMBL21552879 0.73 ALDH1A1 (0.39) MAPTLMNAKDM4EALDH1A1HSD17B10

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-0686149-B1 USE OF 2-MERCAPTO-IMIDAZOLE DERIVATIVES SUBSTITUTED IN POSITION 4 (OR 5) AS ANTIOXIDIZING AGENTS, METHOD OF PREPARATION AND APPLICATIONS IN THE PHARMACEUTICAL, COSMETIC OR FOOD INDUSTRIES OXIS ISLE OF MAN LTD (GB) 2002-04-24 EP claimed
US-6056965-A 2-mercapto-imidazole derivatives substituted in position 4 (or 5) as antioxidizing agents, method of preparation and applications in the pharmaceutical, cosmetic or food industries OXIS ISLE OF MAN, LIMITED (US) 2000-05-02 US claimed
US-6056965-A 2-mercapto-imidazole derivatives substituted in position 4 (or 5) as antioxidizing agents, method of preparation and applications in the pharmaceutical, cosmetic or food industries OXIS ISLE OF MAN, LIMITED (US) 2000-05-02 US disclosed