SCHEMBL8047463

SCHEMBL8047463

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
RARB P10826 1/20 0.34
USP7 Q93009 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
ESR1 P03372 3/20 0.32

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
SCHEMBL8047454 1.00 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049284 0.96 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049277 0.96 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049263 0.94 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049258 0.94 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8046416 0.94 ABCG2 (0.32) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8046419 0.94 ABCG2 (0.32) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8047607 0.93 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8047613 0.93 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8054867 0.91 USP7 (0.32) NPC1RAB9ASMN1; SMN2MAPTSTAT3

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