SCHEMBL22600908

SCHEMBL22600908

CCCCCCCC/C=C(\C)CC/C=C(\C)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.59
▸ CNR1 P21554 3/20 0.55
▸ CNR2 P34972 2/20 0.54
▸ TDP1 Q9NUW8 5/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ CA12 O43570 4/20 0.49
▸ CA1 P00915 4/20 0.49

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
SCHEMBL20656160 0.93 TDP1 (0.55) HLCSCNR1CNR2TDP1MEN1
SCHEMBL22493325 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL13045403 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL12320610 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL7376597 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL15870672 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL12729936 0.83 HLCS (0.71) HLCSCNR1CNR2TDP1MEN1
SCHEMBL12672576 0.83 TDP1 (0.63) HLCSCNR1TDP1MEN1ABL1
SCHEMBL19350969 0.82 PLCD1 (0.51) CNR1CNR2TDP1MEN1ABL1
SCHEMBL8240579 0.82 TDP1 (0.72) HLCSCNR1CNR2TDP1MEN1

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-20200341015-A1 PRENYLATION ASSAY NIGHTSTARX LTD. (GB) 2020-10-29 — — US disclosed
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