SCHEMBL19308745

SCHEMBL19308745

CCSSCCNC(=O)C1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.57
▸ EPHX1 P07099 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL12650704 0.81 NAAA (0.50) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL18685664 0.79 TSHR (0.53) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL19002780 0.79 NAAA (0.54) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL517349 0.78 NAAA (0.73) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL8690270 0.78 NAAA (0.73) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL3184451 0.78 NAAA (0.66) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
Hydrochloric Acid SCHEMBL28065417 0.77 NAAA (0.71) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL8140520 0.76 NAAA (0.70) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL2639022 0.75 NAAA (0.86) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL6359440 0.75 NAAA (0.86) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1

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-9752153-B2 Alkynyl-derivatized cap analogs, preparation and uses thereof Life Technologies Corporation (US) 2017-09-05 — — US disclosed
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