SCHEMBL8047649

SCHEMBL8047649

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)c(F)c3)cn2)cc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.31
RAB9A P51151 5/20 0.31
SMN1; SMN2 Q16637 5/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 1/20 0.30
STAT3 P40763 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
SCHEMBL8047644 1.00 NPC1 (0.31) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8051425 0.96 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8051429 0.96 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8045705 0.94 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8045710 0.94 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8047733 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8047737 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL8045930 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL8051096 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL8045927 0.89 PTGS2 (0.35) SMN1; SMN2KDM4EALDH1A1MAPT

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