SCHEMBL9616640

SCHEMBL9616640

COC(=O)C1(c2cccs2)CO1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 4/20 0.40
HCAR2 Q8TDS4 1/20 0.38
TP53 P04637 3/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
CHRM3 P20309 1/20 0.37
KCNA3 P22001 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8015875 0.83 ALDH1A1 (0.38) MAPTALDH1A1LMNAHCAR2TP53
SCHEMBL6633029 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHCAR2TP53HTT
SCHEMBL15897807 0.77 CHRM3 (0.50) MAPTALDH1A1LMNATP53HTT
SCHEMBL2170626 0.77 ALDH1A1 (0.38) MAPTALDH1A1LMNAHCAR2TP53
SCHEMBL2987228 0.74 CHRM3 (0.54) MAPTALDH1A1LMNATP53HTT
SCHEMBL1038462 0.73 CHRM3 (0.60) MAPTALDH1A1LMNATP53HTT
SCHEMBL830804 0.73 MEN1 (0.53) LMNAHTTKMT2A
SCHEMBL30999194 0.72 CHRM3 (0.46) MAPTALDH1A1LMNATP53HTT
SCHEMBL9631609 0.72 KMT2A (0.45) MAPTALDH1A1LMNAHCAR2TP53
SCHEMBL14968340 0.68 CYP3A4 (0.43) LMNAKMT2A

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-5132435-A From 2-theinylcarboxaldehyde and an isopropyl haloacetate; for making 2-thienlacetaldoxime and thieno 9(3,2-c)pyridine derivatives SANOFI (FR) 1992-07-21 US disclosed