SCHEMBL11045110

SCHEMBL11045110

CCCS(=O)(=O)OOCC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL4318769 0.83 CA1 (0.33) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL27671325 0.80
SCHEMBL27657408 0.80 LMNA (0.35) ALDH1A1LMNAHPGDCA1CA2
SCHEMBL27494023 0.80
SCHEMBL5675794 0.77 CA1 (0.33) CA1CA2
SCHEMBL21635125 0.77 ALDH1A1 (0.30) ALDH1A1HSD17B10
SCHEMBL27809747 0.76
SCHEMBL4523042 0.75 TSHR (0.32) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL9419479 0.74
SCHEMBL952969 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438002-A ENHANCED OIL RECOVERY USING WATER, PETROLEUM SULFONATES, ETHOXYLATED SULFATE OR SULFONATE SOLUBILIZERS, AND DICYCLOPENTADIENE SULFONATE TEXACO INC. (US) 1984-03-20 US disclosed
US-4436672-A ANIONIC SURFACTANTS TEXACO, INC. (US) 1984-03-13 US disclosed