SCHEMBL8036669

SCHEMBL8036669

C=CCc1ccc(-c2cnc(-c3ccc(/C=C/CCCC(C)OCCCCC)cn3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
CNR1 P21554 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STAT3 P40763 1/20 0.30
ATM Q13315 1/20 0.30
TNNC1 P63316 1/20 0.30

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
SCHEMBL8036676 1.00 CNR2 (0.35) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8047699 0.96 RAB9A (0.38) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8047695 0.96 RAB9A (0.38) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036768 0.93 SMN1; SMN2 (0.40) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036771 0.93 SMN1; SMN2 (0.40) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8046764 0.92 CNR2 (0.37) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036474 0.92 CNR2 (0.37) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036471 0.92 CNR2 (0.37) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8046769 0.92 CNR2 (0.37) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8047554 0.92 SMN1; SMN2 (0.41) CNR2RAB9ASMN1; SMN2NPC1KDM4E

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