SCHEMBL3823515

SCHEMBL3823515

N[C@@H](Cc1ccc(C2CCOCC2)cc1)C(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ ELANE P08246 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ ITGB1 P05556 2/20 0.32
▸ ITGA4 P13612 2/20 0.32

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
SCHEMBL3019685 0.79 SLC7A5 (0.37) MEN1RAB9AKMT2ADPP4ITGB1
SCHEMBL1324063 0.78 DPP4 (0.39) MEN1RAB9AKMT2ADPP4ITGB1
SCHEMBL3818970 0.78 CTSC (0.45) CTSCDPP4
SCHEMBL16432219 0.76 CTSC (0.44) CTSCPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25357571 0.75 SLC7A5 (0.53) TYRCTSCMEN1KMT2A
SCHEMBL25357567 0.75 SLC7A5 (0.53) TYRCTSCMEN1KMT2A
SCHEMBL4152850 0.75 ITGA4 (0.45) ITGB1ITGA4ITGB7
SCHEMBL297856 0.74 RAB9A (0.42) MEN1RAB9AKMT2ADPP4
SCHEMBL3823453 0.73 ITGA4 (0.55) ITGB1ITGA4ITGB7
SCHEMBL13851720 0.72 ITGB1 (0.52) ITGB1ITGA4ITGB7

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-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 — — EP disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 — — WO disclosed
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