SCHEMBL18133288

SCHEMBL18133288

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.69
▸ FOLH1 Q04609 7/20 0.58
▸ PRSS1 P07477 3/20 0.55
▸ PRSS2 P07478 3/20 0.55
▸ PRSS3 P35030 3/20 0.55
▸ TPSAB1 Q15661 3/20 0.55
▸ F2 P00734 2/20 0.55
▸ PLG P00747 2/20 0.54
▸ PLCD1 P51178 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ CNR1 P21554 1/20 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
SCHEMBL14563122 0.90 TDP1 (0.64) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL17244679 0.89 TDP1 (0.63) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL4922038 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL18957208 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL21803681 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL23982462 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL713333 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL17522655 0.89 TDP1 (0.65) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL22768971 0.88 TDP1 (0.64) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL14253748 0.88 TDP1 (0.66) TDP1FOLH1PRSS1PRSS2PRSS3

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
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
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