SCHEMBL469597

SCHEMBL469597

CCCCOc1ccc(C(=O)CNCCCCCCOCCCCc2ccccc2)cc1CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.47
▸ PLA2G2D Q9UNK4 1/20 0.45
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 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
SCHEMBL469526 0.83 THRA (0.48) THRAPLA2G2DPDE4APDE4BPDE4C
SCHEMBL469521 0.73 PLA2G2D (0.48) THRAPLA2G2DPDE4BLTB4RPPARG
SCHEMBL469650 0.72 SMN1; SMN2 (0.52) PLA2G2DMTNR1BMEN1KMT2AMTNR1A
SCHEMBL469539 0.71 PLA2G2D (0.50) PLA2G2DPDE4APDE4BPDE4CPDE4D
SCHEMBL469709 0.70 ADRB2 (0.73) MEN1RAB9AKMT2A
SCHEMBL5695106 0.69 SIGMAR1 (0.58) LTA4HS1PR1S1PR3
SCHEMBL9417841 0.68 THRA (0.52) THRAPDE4APDE4BPDE4CPDE4D
SCHEMBL7772641 0.68 PPARG (0.56) MEN1KMT2ALTB4RPPARG
SCHEMBL11732623 0.68 PPARG (0.56) MEN1KMT2ALTB4RPPARG
SCHEMBL10537253 0.68 PPARD (0.61) MEN1KMT2APPARG

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
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 — — WO disclosed
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