SCHEMBL5654877

SCHEMBL5654877

CCSN(SCC)C(=S)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MGLL Q99685 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 1/20 0.37
IDO1 P14902 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8403833 0.81 MGLL (0.43) ALDH1A1MGLLCES2CES1AKR1B1
Hydrochloric Acid SCHEMBL2909153 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAPOLBMAPT
SCHEMBL2909293 0.80 FOLH1 (0.46) TP53
Bromide SCHEMBL3797608 0.78 KDM4E (0.35) ALDH1A1TDP1
SCHEMBL15514625 0.78 CHRNB2 (0.36) ALDH1A1
SCHEMBL2912497 0.76 FOLH1 (0.41) ALDH1A1LMNATP53POLBMAPT
SCHEMBL2912099 0.75 LOXL2 (0.40) ALDH1A1LMNACA2TP53MAPT
SCHEMBL9870759 0.74 MGLL (0.47) ALDH1A1MGLLCES2CES1AKR1B1
SCHEMBL1095539 0.73 MAOA (0.40) ALDH1A1MAPT
SCHEMBL15124023 0.71 ALDH1A1 (0.38) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US claimed
EP-1616957-B1 VECTOR NAT CEREBRAL & CARDIOVASCULAR CT (JP) 2017-05-17 EP disclosed
US-8298817-B2 Vector NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2012-10-30 US disclosed
US-20060057714-A1 Vector JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CARDIOVASCULAR CENTER 2006-03-16 US disclosed
EP-1616957-A1 VECTOR Japan as represented by president of National Cardiovascular Center (JP) 2006-01-18 EP disclosed
US-5880232-A FREE RADICAL POLYMERIZATION IN THE PRESENCE OF SULFIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-09 US disclosed
US-5703184-A SUSPENSION POLYMERIZATION; BATCH OR CONTINUOUS BULK POLYMERIZATION; DITHIOCARBAMATE OR OTHER SULFUR COMPOUND AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-30 US disclosed