SCHEMBL7976074

SCHEMBL7976074

C=CCCCNCCCSC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.31

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
SCHEMBL1038675 0.81
SCHEMBL1242598 0.81 TSHR (0.45) TSHRALDH1A1LMNA
SCHEMBL1017561 0.79
SCHEMBL21385918 0.77
SCHEMBL1454032 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL8923024 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL1453559 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL1453438 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL815324 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL18863421 0.77 TSHR (0.52) TSHRALDH1A1TDP1LMNA

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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed