SCHEMBL8047704

SCHEMBL8047704

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3F)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
CNR2 P34972 2/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.31

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
SCHEMBL8047709 1.00 RAB9A (0.35) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8239100 0.95 RAB9A (0.34) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8239093 0.95 RAB9A (0.34) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8036614 0.94 CNR2 (0.32) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8036624 0.94 CNR2 (0.32) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8047732 0.91 CNR2 (0.33) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8047736 0.91 CNR2 (0.33) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8051226 0.91 CNR2 (0.35) ALDH1A1CNR2CNR1
SCHEMBL8051219 0.91 CNR2 (0.35) ALDH1A1CNR2CNR1
SCHEMBL8048876 0.90 CNR2 (0.32) RAB9AMAPTNPC1SMN1; SMN2KDM4E

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