SCHEMBL8044241

SCHEMBL8044241

CC(O)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)cc3)nn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPC1 O15118 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL8044247 1.00 MAPT (0.32) MAPTTP53AKR1B10AKR1B1CA12
SCHEMBL8034907 0.91 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8034904 0.91 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8052721 0.89 HDAC3 (0.38) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL8046046 0.89 HDAC3 (0.38) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL8052724 0.89 HDAC3 (0.38) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL8046049 0.89 HDAC3 (0.38) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL8046945 0.88 SMN1; SMN2 (0.41) MAPTTP53NPC1STAT3RAB9A
SCHEMBL8044477 0.88 RAB9A (0.36) MAPTTP53AKR1B10AKR1B1CA12
SCHEMBL8044473 0.88 RAB9A (0.36) MAPTTP53AKR1B10AKR1B1CA12

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