SCHEMBL16458102

SCHEMBL16458102

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.58
▸ CAPN1 P07384 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PSEN1 P49768 2/20 0.49
▸ PSEN2 P49810 2/20 0.49
▸ APH1B Q8WW43 2/20 0.49
▸ NCSTN Q92542 2/20 0.49
▸ APH1A Q96BI3 2/20 0.49
▸ PSENEN Q9NZ42 2/20 0.49
▸ CASP3 P42574 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP2 P42575 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47

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
SCHEMBL17244680 0.97 FOLH1 (0.61) FOLH1CAPN1TDP1PSEN1PSEN2
SCHEMBL16458125 0.97 FOLH1 (0.61) FOLH1CAPN1TDP1PSEN1PSEN2
SCHEMBL16478827 0.94 FOLH1 (0.64) FOLH1CAPN1TDP1PSEN1PSEN2
SCHEMBL16478788 0.89 FOLH1 (0.56) FOLH1CAPN1TDP1PSEN1PSEN2
SCHEMBL16458328 0.89 FOLH1 (0.62) FOLH1CAPN1TDP1CASP3CASP1
SCHEMBL16458630 0.87 FOLH1 (0.50) FOLH1CAPN1PSEN1PSEN2APH1B
SCHEMBL24313157 0.86 F2 (0.60) FOLH1CAPN1TDP1PRSS1PRSS2
SCHEMBL17244682 0.86 FOLH1 (0.65) FOLH1CAPN1TDP1CASP3CASP1
SCHEMBL22769248 0.86 FOLH1 (0.65) FOLH1CAPN1TDP1CASP3CASP1
SCHEMBL17244679 0.85 TDP1 (0.63) FOLH1CAPN1TDP1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 — — US disclosed
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
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 — — US disclosed
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