SCHEMBL11528306

SCHEMBL11528306

C=CCSN(SCC=C)C(=O)NCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL11530054 0.73 FAAH (0.41) ALDH1A1TSHRFAAH
SCHEMBL11675774 0.72
SCHEMBL3267696 0.71 ALDH1A1 (0.34) ALDH1A1TSHRFAAH
SCHEMBL6888117 0.70 TRPA1 (0.35) ALDH1A1
SCHEMBL11528652 0.70 ALDH1A1 (0.41) ALDH1A1GAAFAAH
SCHEMBL11091749 0.69 MAPT (0.45) ALDH1A1GAATDP1FAAH
SCHEMBL27580578 0.69 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL5132322 0.69 ALDH1A1 (0.39) ALDH1A1GAAZDHHC20ZDHHC2TSHR
SCHEMBL22168230 0.67
SCHEMBL9555829 0.67 ALDH1A1 (0.32) ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed