SCHEMBL24312562

SCHEMBL24312562

C=CCOC(=O)CCCCCNC(=O)CCC(=O)NC(CCCCN)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.54
▸ CNR1 P21554 3/20 0.52
▸ PRSS1 P07477 3/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ TPSAB1 Q15661 3/20 0.52
▸ PLG P00747 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ CAPN1 P07384 2/20 0.49
▸ CNR2 P34972 2/20 0.47
▸ F2 P00734 2/20 0.46

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
SCHEMBL24312559 0.94 FOLH1 (0.60) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22768973 0.89 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312560 0.89 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312523 0.89 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769248 0.89 FOLH1 (0.65) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17244682 0.89 FOLH1 (0.65) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22769223 0.87 FOLH1 (0.51) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL16458328 0.86 FOLH1 (0.62) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769221 0.84 FOLH1 (0.49) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769245 0.83 FOLH1 (0.47) FOLH1CNR1PRSS1PRSS2PRSS3

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-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 — — EP disclosed
Send feedback