SCHEMBL14570855

SCHEMBL14570855

CC(C)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.74
▸ CAPN1 P07384 2/20 0.63
▸ MEN1 O00255 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ FOLH1 Q04609 2/20 0.59
▸ CNR1 P21554 2/20 0.58
▸ PLCD1 P51178 1/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ ITGB1 P05556 1/20 0.58
▸ ITGA4 P13612 1/20 0.58

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
SCHEMBL24067575 0.99 TDP1 (0.76) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL13609688 0.97 TDP1 (0.73) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL20369791 0.94 TDP1 (0.71) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL12352865 0.94 TDP1 (0.71) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL19543512 0.94 TDP1 (0.71) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL14523052 0.93 TDP1 (0.70) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL18779801 0.92 TDP1 (0.78) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL21140191 0.91 TDP1 (0.70) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL21958835 0.91 TDP1 (0.70) TDP1CAPN1MEN1ABL1LMNA
SCHEMBL13367527 0.91 TDP1 (0.80) TDP1CAPN1MEN1ABL1LMNA

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-7189582-B2 Compositions and methods for detection of sirolimus DADE BEHRING INC. (US) 2007-03-13 — — US disclosed
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