SCHEMBL9255594

SCHEMBL9255594

CC(C)(C)c1ccc2oc(C(O)COc3ccc(CO)cc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ADAM17 P78536 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
EPHX2 P34913 2/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.34
NR4A2 P43354 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9260855 0.88 KDR (0.38) HDAC6NPC1RAB9AMAPTADAM17
SCHEMBL9254836 0.84 RXRA (0.48) HDAC6NPC1RAB9AMAPTADAM17
SCHEMBL9263173 0.83 RXRA (0.47) HDAC6NPC1RAB9AMAPTADAM17
SCHEMBL9255197 0.82 NPC1 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9260521 0.82 HDAC6 (0.48) HDAC6NPC1RAB9AMAPTGAA
SCHEMBL9263178 0.82 HDAC6 (0.46) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9264987 0.81 ALOX5 (0.41) MEN1KMT2ALMNASMN1; SMN2CA12
SCHEMBL9259605 0.77 NR4A2 (0.53) HDAC6NPC1RAB9AKMT2AMAPT
SCHEMBL9263275 0.77 NPC1 (0.48) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL9263848 0.73 APEX1 (0.38) HDAC6MEN1KMT2AMAPTADAM17

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
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed