SCHEMBL11295068

SCHEMBL11295068

COc1cc(OC)cc(C2CCC(=O)NC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
PDE4A P27815 11/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
CYP3A4 P08684 2/20 0.42
VEGFA P15692 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
TNF P01375 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL21342022 0.80 FPR1 (0.42) MTNR1A
SCHEMBL8358430 0.77 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL14823518 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL25048767 0.75 PDE4A (0.50) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL21342012 0.74 MTNR1A (0.49) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL20789976 0.73 ALDH1A1 (0.50) CYP3A4ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL17514730 0.73 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AEGFR
SCHEMBL10401509 0.73 HTR2C (0.56) PDE4B
SCHEMBL1613815 0.72 ALDH1A1 (0.55) CYP3A4ALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL22204489 0.72 PDE4A (0.48) DDB1CRBNPDE4APDE4BPDE4C

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
EP-0062018-A1 Novel phenyl-piperidines Aktiebolaget Hässle (SE) 1982-10-06 EP disclosed