SCHEMBL8049023

SCHEMBL8049023

C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)OCCCCC)cnc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTB4R Q15722 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
RARB P10826 3/20 0.30
PLA2G2A P14555 1/20 0.30
ATM Q13315 1/20 0.30
CASR P41180 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
SCHEMBL8049018 1.00 KDM4E (0.33) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8047405 0.93 LTB4R (0.34) SMN1; SMN2LTB4RSRCABL1CHRNB2
SCHEMBL8047410 0.93 LTB4R (0.34) SMN1; SMN2LTB4RSRCABL1CHRNB2
SCHEMBL8053985 0.90 HMOX1 (0.31) SRCABL1
SCHEMBL8053987 0.90 HMOX1 (0.31) SRCABL1
SCHEMBL8046666 0.89 CNR2 (0.35) LTB4R
SCHEMBL8046669 0.89 CNR2 (0.35) LTB4R
SCHEMBL8036532 0.89
SCHEMBL8036537 0.89
SCHEMBL8048970 0.87 LTB4R (0.34) LTB4R

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