SCHEMBL14922108

SCHEMBL14922108

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.62
▸ F2 P00734 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ TPSAB1 Q15661 1/20 0.57
▸ CNR1 P21554 3/20 0.56
▸ PLCD1 P51178 1/20 0.55
▸ CNR2 P34972 2/20 0.54
▸ ITGB1 P05556 1/20 0.53
▸ ITGA4 P13612 1/20 0.53
▸ FGF1 P05230 1/20 0.53
▸ FGF2 P09038 1/20 0.53
▸ VEGFA P15692 1/20 0.53
▸ HPSE Q9Y251 1/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL14922112 0.94 TDP1 (0.62) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL140972 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL31224941 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL14165464 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL9926313 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18268937 0.90 TDP1 (0.59) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL30256099 0.89 F2 (0.65) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18257192 0.88 TDP1 (0.81) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL2768198 0.88 TDP1 (0.81) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19959667 0.88 TDP1 (0.81) TDP1F2PRSS1PRSS2PRSS3

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-8435800-B2 Activated labeling reagents and methods for preparing and using the same BIOSIGHT LTD. (IL) 2013-05-07 — — US disclosed
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