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Sugi Predict / Compounds / SCHEMBL2434896

SCHEMBL2434896

SCHEMBL2434896

COC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.50
▸ MCL1 Q07820 14/20 0.46
▸ UCHL1 P09936 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL2437881 0.89 MCL1 (0.47) P2RX3MCL1UCHL1
SCHEMBL6208008 0.89 MCL1 (0.47) P2RX3MCL1UCHL1
SCHEMBL18103660 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL27112502 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL948762 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL948760 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL15719188 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL2439746 0.88 P2RX3 (0.51) P2RX3MCL1UCHL1NR1H2NR1H3
SCHEMBL24740458 0.86 P2RX3 (0.51) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL3862645 0.86 P2RX3 (0.47) P2RX3MCL1UCHL1NR1H2NR1H3

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed