SCHEMBL8050852

SCHEMBL8050852

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3F)nc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 17/20 0.33
ALOX5AP P20292 16/20 0.33
KCNA3 P22001 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8050855 1.00 FEN1 (0.33) FEN1ALOX5APKCNA3CYP11B1CYP11B2
SCHEMBL8046026 0.94 KDM4E (0.32) FEN1ALOX5APNPC1TP53PKM
SCHEMBL8046021 0.94 KDM4E (0.32) FEN1ALOX5APNPC1TP53PKM
SCHEMBL8047849 0.94 KDM4E (0.34) FEN1ALOX5APKCNA3NPC1TP53
SCHEMBL8047852 0.94 KDM4E (0.34) FEN1ALOX5APKCNA3NPC1TP53
SCHEMBL8051045 0.93 CYP11B1 (0.35) FEN1ALOX5APCYP11B1CYP11B2NPC1
SCHEMBL8051049 0.93 CYP11B1 (0.35) FEN1ALOX5APCYP11B1CYP11B2NPC1
SCHEMBL8046243 0.90 ALOX5AP (0.32) FEN1ALOX5APKCNA3
SCHEMBL8046239 0.90 ALOX5AP (0.32) FEN1ALOX5APKCNA3
SCHEMBL8048055 0.90 SMN1; SMN2 (0.36) FEN1ALOX5APKCNA3NPC1TP53

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