SCHEMBL11615274

SCHEMBL11615274

CCCCCCCCCCCCSSC(=O)OCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
ACHE P22303 9/20 0.49
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL11616406 0.96 ACHE (0.49) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11614817 0.96 ACHE (0.49) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11613518 0.96 ACHE (0.49) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11615429 0.94 ALDH1A1 (0.47) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11617472 0.93 ACHE (0.49) NAAAACHEEPHX1TSHRFAAH
SCHEMBL11613219 0.89 ACHE (0.44) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11613267 0.87 ACHE (0.42) NAAAACHEEPHX1FAAH
SCHEMBL11615734 0.86 ACHE (0.42) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11617565 0.86 ALDH1A1 (0.50) NAAAACHEEPHX1TSHRHCAR2
SCHEMBL11617790 0.85 ACHE (0.41) NAAAACHEEPHX1TSHRHCAR2

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-4085094-A SULFENYLTHIOCARBONATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-04-18 US disclosed