SCHEMBL14523052

SCHEMBL14523052

CC(C)CNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.70
▸ CAPN1 P07384 2/20 0.62
▸ F2 P00734 1/20 0.59
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TPSAB1 Q15661 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CNR1 P21554 2/20 0.57
▸ PLCD1 P51178 1/20 0.57
▸ ITGB1 P05556 1/20 0.57
▸ ITGA4 P13612 1/20 0.57

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
SCHEMBL20280336 0.95 TDP1 (0.65) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL19960776 0.95 TDP1 (0.65) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL14570855 0.93 TDP1 (0.74) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL24067575 0.92 TDP1 (0.76) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL18779801 0.91 TDP1 (0.78) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL19427231 0.90 F2 (0.63) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL21958835 0.90 TDP1 (0.70) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL21140191 0.90 TDP1 (0.70) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL13609688 0.89 TDP1 (0.73) TDP1CAPN1F2PRSS1PRSS2
SCHEMBL21140233 0.89 TDP1 (0.69) TDP1CAPN1F2PRSS1PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087383-A1 Immunoassay THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2007-04-19 — — US disclosed
US-20070087383-A1 Immunoassay THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2007-04-19 — — US disclosed
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