SCHEMBL9256474

SCHEMBL9256474

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL9262771 0.84 MAPT (0.51) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9262816 0.83 ALDH1A1 (0.41) NPC1MAPTRAB9APOLBTAS1R3
SCHEMBL9251832 0.83 HDAC6 (0.49) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9255150 0.80 GAA (0.46) NPC1MAPTRAB9ALMNAGAA
SCHEMBL9260289 0.73 LMNA (0.42) MAPTSMN1; SMN2LMNAGAATP53
Hydrochloric Acid SCHEMBL23420320 0.71 TP53 (0.46) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL12709534 0.71 MAOB (0.52) NPC1MAPTRAB9AMAPK1KMT2A
SCHEMBL30686654 0.71 TP53 (0.46) NPC1MAPTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29695992 0.71 TP53 (0.46) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL3726748 0.71 TP53 (0.46) NPC1MAPTRAB9ASMN1; SMN2LMNA

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