SCHEMBL11325248

SCHEMBL11325248

CC(S)(C(=O)O)C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 1/20 0.44
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HIF1A Q16665 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11203616 0.77 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1TSHRHIF1A
SCHEMBL4526048 0.76 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1TSHRHPGD
SCHEMBL1844869 0.74
SCHEMBL1844864 0.74
SCHEMBL27937957 0.72
SCHEMBL11360511 0.72
SCHEMBL2686144 0.71 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1TSHRHIF1A
SCHEMBL9307553 0.71 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TSHRHPGD
SCHEMBL897666 0.69 ALDH1A1 (0.39) ALDH1A1MAPTPTGS1TSHRABCB11
SCHEMBL9866977 0.69

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-4277427-A DISTRIBUTION OF RESINOUS FLAKES CONTAINING A BLOWING AGENT SUPPRESSOR ON A PRINTED, GELLED, FOAMABLE POLYMER CONGOLEUM CORPORATION (US) 1981-07-07 US disclosed