SCHEMBL9251832

SCHEMBL9251832

COC(=O)c1ccc(OCC(=O)c2cc3cc(C(C)(C)C)ccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 1/20 0.44
EGFR P00533 1/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL9257649 0.89 RXRA (0.52) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9258477 0.86 MAPT (0.46) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9263275 0.85 NPC1 (0.48) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9262771 0.84 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9256474 0.83 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9260302 0.82 NPC1 (0.48) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9252898 0.80 HDAC6 (0.57) HDAC6NPC1RAB9AMAPTPOLB
SCHEMBL9260521 0.80 HDAC6 (0.48) HDAC6NPC1RAB9AMAPTLMNA
SCHEMBL9261977 0.76 HDAC6 (0.46) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9260470 0.75 HDAC6 (0.44) HDAC6NPC1RAB9AMAPTSMN1; SMN2

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