SCHEMBL11223396

SCHEMBL11223396

CCCCC(C)C[C](C)C(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
TSHR P16473 1/20 0.37
FDPS P14324 5/20 0.37
CA1 P00915 3/20 0.34
ALDH1A1 P00352 1/20 0.33
DNM1 Q05193 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL4652990 0.91 TSHR (0.46) ACE2TSHRFDPSCA1
SCHEMBL7434805 0.78 FDPS (0.41) ACE2TSHRFDPSCA1ALDH1A1
SCHEMBL28944520 0.76 ACE2 (0.42) ACE2TSHRFDPSALDH1A1DNM1
SCHEMBL18514502 0.74 ACE2 (0.36) ACE2TSHRFDPSCA1ALDH1A1
SCHEMBL8368919 0.74 ACE2 (0.36) ACE2TSHRFDPSCA1ALDH1A1
SCHEMBL1369967 0.74 ALDH1A1 (0.46) ACE2FDPSCA1ALDH1A1CA2
SCHEMBL14167783 0.74 TSHR (0.39) TSHRFDPSALDH1A1DNM1
SCHEMBL28639197 0.73 FDPS (0.37) ACE2TSHRFDPSCA1ALDH1A1
SCHEMBL14167668 0.72 ACE2 (0.40) ACE2FDPSCA1DNM1CA2
SCHEMBL4620404 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed