SCHEMBL8046055

SCHEMBL8046055

CCCCCOC(C)CCCC=Cc1ccc(-c2cnc(-c3ccc(O)cc3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 5/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR5A1 Q13285 1/20 0.36
LTA4H P09960 1/20 0.34
TNNC1 P63316 1/20 0.34
APP P05067 2/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8046053 1.00 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8053784 0.94 RAB9A (0.45) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8053779 0.94 RAB9A (0.45) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8052377 0.93 RAB9A (0.42) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8052372 0.93 RAB9A (0.42) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8051067 0.93 RAB9A (0.42) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8051072 0.93 RAB9A (0.42) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8049243 0.93 RAB9A (0.41) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8049237 0.93 RAB9A (0.41) ABCG2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8048386 0.93 RAB9A (0.44) ABCG2NPC1RAB9ASMN1; SMN2MAPT

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