SCHEMBL8045548

SCHEMBL8045548

CC(O)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)cc3)cn2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8045551 1.00 MAOB (0.31) MAOBNPC1MAPTSTAT3RAB9A
SCHEMBL8035230 0.93 NPC1 (0.35) MAOBNPC1MAPTSTAT3RAB9A
SCHEMBL8035223 0.93 NPC1 (0.35) MAOBNPC1MAPTSTAT3RAB9A
SCHEMBL8052642 0.92 FEN1 (0.31)
SCHEMBL8052638 0.92 FEN1 (0.31)
SCHEMBL8045836 0.89 MEN1 (0.36) NPC1RAB9A
SCHEMBL8045833 0.89 MEN1 (0.36) NPC1RAB9A
SCHEMBL8044309 0.88 NPC1 (0.32) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8044312 0.88 NPC1 (0.32) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8046425 0.88

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