SCHEMBL22769245

SCHEMBL22769245

C=CCOC(=O)CCCCCNC(=O)CCC(=O)N[C@@H](CCCCNC(=O)CCCCC(NCCOCCOCCNC(=O)OC(C)(C)C)C1C(=O)CC(C)(C)CC1=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.47
▸ CNR1 P21554 3/20 0.44
▸ PSEN1 P49768 2/20 0.42
▸ PSEN2 P49810 2/20 0.42
▸ APH1B Q8WW43 2/20 0.42
▸ NCSTN Q92542 2/20 0.42
▸ APH1A Q96BI3 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ TPSAB1 Q15661 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ CAPN1 P07384 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ PLG P00747 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ SORT1 Q99523 1/20 0.40

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
SCHEMBL22769223 0.84 FOLH1 (0.51) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22768973 0.84 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312523 0.84 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312560 0.84 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312559 0.84 FOLH1 (0.60) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312562 0.83 FOLH1 (0.54) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL17244680 0.82 FOLH1 (0.61) FOLH1CNR1PSEN1PSEN2APH1B
SCHEMBL16478788 0.81 FOLH1 (0.56) FOLH1CNR1PSEN1PSEN2APH1B
SCHEMBL16478827 0.81 FOLH1 (0.64) FOLH1CNR1PSEN1PSEN2APH1B
SCHEMBL16458102 0.80 FOLH1 (0.58) FOLH1CNR1PSEN1PSEN2APH1B

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
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
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