SCHEMBL8044477

SCHEMBL8044477

CC(O)CCCC=Cc1ccc(-c2cnc(-c3ccc(O)cc3)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
APP P05067 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MTOR P42345 2/20 0.33

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
SCHEMBL8044473 1.00 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8046951 0.92 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8046945 0.92 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8035592 0.91 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8047292 0.91 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8035600 0.91 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8047286 0.91 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8045857 0.91 KDM4E (0.33) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8045863 0.91 KDM4E (0.33) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8052769 0.91 NPC1 (0.40) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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