SCHEMBL19400418

SCHEMBL19400418

CCC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.52
▸ TACR1 P25103 2/20 0.41
▸ PTPN1 P18031 5/20 0.40
▸ CDC25B P30305 5/20 0.40
▸ SIRT2 Q8IXJ6 5/20 0.39
▸ SIRT1 Q96EB6 2/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38

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
SCHEMBL19400398 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400454 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400419 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168490 0.95 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168448 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168473 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168454 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168453 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL22168450 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2
SCHEMBL19400449 0.91 SELP (0.51) SELPTACR1PTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434684-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION Keio University (JP) 2019-01-30 — — EP disclosed
WO-2017163808-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION 学校法人慶應義塾 2017-09-28 — — WO disclosed
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