SCHEMBL8788877

SCHEMBL8788877

O=C(NCCN(CC1Cc2ccccc2O1)C(=O)OCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.39
PPARG P37231 1/20 0.39
DRD4 P21917 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TGM2 P21980 1/20 0.37
NPC1 O15118 1/20 0.37
BCHE P06276 1/20 0.37
CCR5 P51681 1/20 0.37
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 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
SCHEMBL8787265 0.95 CCR6 (0.42) NR1D1PPARGDRD4ALDH1A1KDM4E
SCHEMBL8053562 0.86 HPGD (0.42) ALDH1A1HPGDNPC1CCR6PAX8
SCHEMBL8787114 0.85 ALDH1A1 (0.41) PPARGDRD4ALDH1A1HPGDNPC1
SCHEMBL8047896 0.82 NPC1 (0.45) ALDH1A1NPC1CCR6PAX8
SCHEMBL8053341 0.82 RAB9A (0.47) KDM4EHPGDNPC1LMNA
SCHEMBL8787321 0.81 APP (0.43) PPARGDRD4ALDH1A1HPGDDRD2
SCHEMBL8787183 0.81 DRD3 (0.41) NR1D1PPARGDRD4ALDH1A1KDM4E
SCHEMBL8046943 0.81 CCR6 (0.47) HPGDNPC1CCR6PAX8
SCHEMBL8652547 0.79 NR1D1 (0.38) NR1D1ALDH1A1CCR5CCR6PAX8
SCHEMBL8653424 0.78 CCR6 (0.39) NR1D1ALDH1A1KDM4ECCR5CCR6

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