SCHEMBL8054375

SCHEMBL8054375

C=CCOc1cnc(-c2ccc(C=CCCCC(C)O)cc2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 2/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8054372 1.00 ATM (0.33) ATMNPC1TP53RAB9AMAPT
SCHEMBL8047322 0.93 ALOX5AP (0.33) ATM
SCHEMBL8047327 0.93 ALOX5AP (0.33) ATM
SCHEMBL8054648 0.92 NPC1 (0.33) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8054641 0.92 NPC1 (0.33) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8235024 0.91 LMNA (0.36) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8235026 0.91 LMNA (0.36) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8046188 0.89 FEN1 (0.34) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8046195 0.89 FEN1 (0.34) NPC1TP53RAB9AMAPTCYP2D6
SCHEMBL8051183 0.89 NPC1 (0.32) ATMNPC1TP53RAB9AMAPT

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