SCHEMBL8045705

SCHEMBL8045705

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)c(F)c3)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
SMN1; SMN2 Q16637 7/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 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
SCHEMBL8045710 1.00 NPC1 (0.33) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8047733 0.96 NPC1 (0.36) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8047737 0.96 NPC1 (0.36) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8047649 0.94 NPC1 (0.31) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8047644 0.94 NPC1 (0.31) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8051425 0.93 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8051429 0.93 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8045930 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPTPTGS2
SCHEMBL8051096 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPTPTGS2
SCHEMBL8045927 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPTPTGS2

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