SCHEMBL17244682

SCHEMBL17244682

NCCCCCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)CCC(=O)NCCCCCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.65
▸ PRSS1 P07477 3/20 0.61
▸ PRSS2 P07478 3/20 0.61
▸ PRSS3 P35030 3/20 0.61
▸ TPSAB1 Q15661 3/20 0.61
▸ PLG P00747 2/20 0.61
▸ TDP1 Q9NUW8 3/20 0.58
▸ CAPN1 P07384 2/20 0.54
▸ F2 P00734 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP2 P42575 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL22769248 1.00 FOLH1 (0.65) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16458328 0.97 FOLH1 (0.62) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24312562 0.89 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24312559 0.88 FOLH1 (0.60) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17244680 0.88 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22580893 0.87 PRSS1 (0.53) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18133288 0.87 TDP1 (0.69) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22769273 0.87 FOLH1 (0.69) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10044328 0.86 TDP1 (0.72) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16478827 0.86 FOLH1 (0.64) FOLH1PRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 — — EP disclosed
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