SCHEMBL9680970

SCHEMBL9680970

COCCOCn1ccccc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DUT P33316 3/20 0.39
MAPK14 Q16539 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.36
CA2 P00918 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
SCHEMBL14488158 0.85 POLB (0.46) NPC1MITFLMNATP53RAB9A
SCHEMBL9752623 0.85 POLB (0.48) NPC1MITFLMNATP53RAB9A
SCHEMBL31424843 0.83 SMN1; SMN2 (0.46) NPC1MITFLMNATP53RAB9A
SCHEMBL15424625 0.81 L3MBTL1 (0.57) NPC1MITFLMNATP53RAB9A
SCHEMBL200911 0.79 NPC1 (0.41) NPC1MITFLMNATP53RAB9A
SCHEMBL9752573 0.76 L3MBTL1 (0.58) NPC1MITFLMNATP53RAB9A
SCHEMBL9752736 0.73 L3MBTL1 (0.60) NPC1MITFLMNATP53RAB9A
SCHEMBL9752671 0.73 L3MBTL1 (0.51) NPC1MITFLMNATP53RAB9A
SCHEMBL22842957 0.71 L3MBTL1 (0.54) NPC1MITFLMNATP53RAB9A
SCHEMBL9394796 0.70 L3MBTL1 (0.51) NPC1MITFLMNATP53RAB9A

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed
EP-0406656-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-09 EP disclosed