SCHEMBL5158015

SCHEMBL5158015

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)N2CCC(OC(=O)OC)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.45
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 1/20 0.34
NMT2 O60551 2/20 0.34
NMT1 P30419 2/20 0.34

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
SCHEMBL5155332 0.94 CYSLTR2 (0.45) CYSLTR2TDP1KCNH2HRH3HRH2
SCHEMBL5173022 0.92 NMT2 (0.39) CYSLTR2TDP1KCNH2HRH3ALDH1A1
SCHEMBL5111128 0.91 CYSLTR2 (0.47) CYSLTR2TDP1HRH3ALDH1A1MEN1
SCHEMBL5174823 0.89 CYSLTR2 (0.43) CYSLTR2TDP1KCNH2HRH3ALDH1A1
SCHEMBL5118730 0.88 CYSLTR2 (0.48) CYSLTR2TDP1KCNH2HRH3ALDH1A1
SCHEMBL5186666 0.86 YAP1 (0.39) TDP1HRH3ALDH1A1MEN1KMT2A
SCHEMBL5113803 0.85 POLB (0.48) CYSLTR2ALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL5125642 0.84 CYSLTR2 (0.52) CYSLTR2KCNH2HRH3
SCHEMBL5126529 0.82 CYSLTR2 (0.47) CYSLTR2TDP1KCNH2HRH3ALDH1A1
SCHEMBL5115310 0.81 ALDH1A1 (0.44) KCNH2HRH3ALDH1A1MEN1KMT2A

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-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed