SCHEMBL7758290

SCHEMBL7758290

CC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1CCCc1ccccc1N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.42
AKT1 P31749 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CFD P00746 1/20 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
SCHEMBL3772823 0.87 CHRM2 (0.41) AKT1CHRM2CHRM1PTGER1PTGER4
SCHEMBL7758293 0.85 ELANE (0.38) ELANEAKT1CHRM2CHRM1PPARG
SCHEMBL7755557 0.82 KMT2A (0.42) ELANEPTGER1PTGER4PTGER3PTGER2
SCHEMBL7755600 0.81 ALOX15 (0.42) ELANEPTGER1PTGER4PTGER3PTGER2
SCHEMBL7758334 0.78 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2CFD
SCHEMBL2167312 0.72 CHRM2 (0.66) ELANECHRM2CHRM1
SCHEMBL3772824 0.72 ADRB2 (0.40) AKT1CHRM2CHRM1PTGER1PTGER4
SCHEMBL27523797 0.72 CHRM2 (0.57) ELANECHRM2CHRM1
SCHEMBL7756438 0.70 CHRM2 (0.36) ELANECHRM2CHRM1PTGER1PTGER4
SCHEMBL7755059 0.70 ELANE (0.44) ELANECHRM2CHRM1PPARA

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-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed