SCHEMBL8788153

SCHEMBL8788153

CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccncc1)CC1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 1/20 0.39
HRH1 P35367 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8035914 0.93 HDAC1 (0.41) NAAAHRH1DRD2DRD3HDAC3
SCHEMBL8787557 0.91 NAMPT (0.46) CYP1A2DRD3MEN1KMT2A
SCHEMBL8045204 0.90 NAMPT (0.46) HRH1DRD2DRD3HDAC3HDAC1
SCHEMBL8045274 0.90 HRH1 (0.40) L3MBTL1HRH1DRD2DRD3MEN1
SCHEMBL8045372 0.90 ACKR3 (0.43) DRD2DRD3HDAC3HDAC1HDAC2
SCHEMBL8047095 0.89 NAMPT (0.47) HRH1CYP1A2CYP2C19ALDH1A1DRD2
SCHEMBL8788456 0.87 NAMPT (0.44) ALDH1A1DRD3MEN1KMT2AHDAC3
SCHEMBL8046983 0.87 NPC1 (0.40) HRH1MEN1KMT2AHDAC3HDAC1
SCHEMBL8787545 0.87 HDAC3 (0.38) HRH1ALDH1A1DRD2DRD3HDAC3
SCHEMBL8787728 0.86 HDAC3 (0.37) HRH1DRD2DRD3HDAC3HDAC1

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-0769496-A1 NOVEL 2,3-DIHYDROBENZOFURAN DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-04-23 EP disclosed