SCHEMBL8048586

SCHEMBL8048586

C=CCc1ccc(-c2cnc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
TNNC1 P63316 1/20 0.34
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
CNR1 P21554 1/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 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
SCHEMBL8048589 1.00 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8047554 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8047561 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8047876 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8047880 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8044937 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8044933 0.94 SMN1; SMN2 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8053816 0.93 SMN1; SMN2 (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8053814 0.93 SMN1; SMN2 (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8036768 0.93 SMN1; SMN2 (0.40) RAB9ANPC1KDM4EALDH1A1HPGD

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 3 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-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