SCHEMBL11599261

SCHEMBL11599261

Cc1ccc(S)c(O)c1.Cc1ccc(S)c(O)c1.Cc1ccc(S)c(O)c1.OP(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR2 P25025 2/20 0.40
ACHE P22303 2/20 0.39
SELL P14151 1/20 0.39

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
SCHEMBL2122383 0.93
SCHEMBL6517277 0.91 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL6517281 0.91 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL6516427 0.91 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL30028795 0.73
SCHEMBL2646544 0.73
SCHEMBL11600377 0.73 ACHE (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL11601539 0.73 HSD17B10 (0.50) TDP1LMNASLC6A2ALOX15HSD17B10
SCHEMBL8814619 0.71 TP53 (0.85) TRPA1TP53TDP1LMNACHRM1
SCHEMBL2858291 0.71 ALDH1A1 (0.52) TRPA1TP53TDP1LMNACHRM1

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-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed