SCHEMBL8046943

SCHEMBL8046943

O=C(NCCCN(CC1Cc2ccccc2O1)C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SIGMAR1 Q99720 13/20 0.41
TMEM97 Q5BJF2 10/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL8053562 0.94 HPGD (0.42) CCR6PAX8NPC1RAB9ASIGMAR1
SCHEMBL8050607 0.94 SIGMAR1 (0.50) CCR6PAX8NPC1RAB9ASIGMAR1
SCHEMBL8047896 0.88 NPC1 (0.45) CCR6PAX8NPC1RAB9ASIGMAR1
SCHEMBL8787265 0.87 CCR6 (0.42) CCR6PAX8SIGMAR1TMEM97HPGD
SCHEMBL8053341 0.86 RAB9A (0.47) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
SCHEMBL8035914 0.84 HDAC1 (0.41) NPC1RAB9ASIGMAR1TMEM97HPGD
SCHEMBL8053417 0.83 SIGMAR1 (0.47) NPC1RAB9ASIGMAR1TMEM97ACKR3
SCHEMBL8036154 0.83 SIGMAR1 (0.47) NPC1RAB9ASIGMAR1TMEM97HPGD
SCHEMBL8788877 0.81 NR1D1 (0.39) CCR6PAX8NPC1HPGD
SCHEMBL8045249 0.80 TMEM97 (0.48) NPC1RAB9ASIGMAR1TMEM97HPGD

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-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed