SCHEMBL8051052

SCHEMBL8051052

CCCCCOC(C)CCCC=Cc1ccc2nc(-c3ccc(O)cc3)cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.33
APP P05067 5/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
LTA4H P09960 1/20 0.32
MAPK1 P28482 2/20 0.32
PIK3CA P42336 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ESRRB O95718 1/20 0.31

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
SCHEMBL8051047 1.00 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8051536 0.95 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8051538 0.95 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8048931 0.89 ESR1 (0.35) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8048934 0.89 ESR1 (0.35) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8036630 0.88 KDM4E (0.37) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8036621 0.88 KDM4E (0.37) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8048543 0.87 ESR1 (0.41) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8048540 0.87 ESR1 (0.41) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8051526 0.87 MEN1 (0.33) MAPTALDH1A1ATMMAPK10KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed