SCHEMBL6601068

SCHEMBL6601068

COC(=O)C(NC(=O)C(C)(C)C)P(=O)(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ PTK2B Q14289 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16760 0.79 CA12 (0.41) CYP2C19CYP1A2
SCHEMBL2707882 0.79 SMN1; SMN2 (0.33) LMNACYP2C19SMN1; SMN2
SCHEMBL712601 0.79 SMN1; SMN2 (0.33) LMNACYP2C19SMN1; SMN2
SCHEMBL14567507 0.77 CAD (0.33) LMNACYP2C19SMN1; SMN2
SCHEMBL275494 0.74 SMN1; SMN2 (0.36) LMNACYP2C19SMN1; SMN2
SCHEMBL25863400 0.74 SMN1; SMN2 (0.36) LMNACYP2C19SMN1; SMN2
SCHEMBL33527021 0.73 ALOX15 (0.34) CYP2C19CYP1A2SMN1; SMN2
SCHEMBL3026701 0.73 CTSC (0.35) —
SCHEMBL11395544 0.71 DGAT1 (0.33) LMNACYP2C19
SCHEMBL3105952 0.71 CA1 (0.40) CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066316-B1 CINNAMIC ACID DERIVATIVES HAVING CELL ADHESION MODULATING ACTIVITY CELLTECH THERAPEUTICS LTD (GB) 2004-05-12 — — EP disclosed
EP-1095036-B1 CINNAMIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH THERAPEUTICS LTD (GB) 2003-05-07 — — EP disclosed
US-6465471-B1 INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS THUS THEY ARE OF USE IN PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS CELLTECH THERAPEUTICS LIMITED (GB) 2002-10-15 — — US disclosed
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