SCHEMBL8997918

SCHEMBL8997918

CCCCCCCCCC(S)C(S)CCCCCCCCCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.57
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL3020499 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL11833473 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL2355127 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL17421926 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL17495594 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL29244747 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL29244723 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL17422009 0.87 TSHR (0.50) LMNATSHRSPHK1MAPTGPR84
SCHEMBL23510659 0.86 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5575641 0.86 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A

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
EP-0489465-B1 Ligand gold bonding AKZO NOBEL NV (NL) 1996-09-04 EP disclosed