SCHEMBL8046983

SCHEMBL8046983

Cc1cccc(C(=O)NCCCCN(CC2Cc3ccccc3O2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HPGD P15428 1/20 0.39
NAMPT P43490 6/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HSD17B10 Q99714 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 0.92 HDAC1 (0.41) NPC1RAB9AHDAC1HDAC3HPGD
SCHEMBL8035904 0.92 NAMPT (0.46) HPGDNAMPTOPRM1SIGMAR1TMEM97
SCHEMBL8045274 0.91 HRH1 (0.40) NPC1RAB9AHDAC1HDAC3NAMPT
SCHEMBL8050645 0.91 NAMPT (0.50) HPGDNAMPTOPRM1MEN1KMT2A
SCHEMBL8046961 0.90 NAMPT (0.49) HDAC1HDAC3NAMPT
SCHEMBL8044991 0.89 NAMPT (0.49) HDAC3NAMPTSIGMAR1
SCHEMBL8787540 0.89 HDAC3 (0.46) HDAC1HDAC3OPRM1SIGMAR1TMEM97
SCHEMBL8053340 0.89 ALDH1A1 (0.47) HDAC1HDAC3HPGD
SCHEMBL8788153 0.87 NAAA (0.40) HDAC1HDAC3MEN1KMT2AHRH1
SCHEMBL8045372 0.87 ACKR3 (0.43) NPC1RAB9AHDAC1HDAC3NAMPT

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