SCHEMBL8046985

SCHEMBL8046985

C=CCOc1cnc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.32
RARB P10826 3/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
TP53 P04637 1/20 0.30
TNNC1 P63316 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
SCHEMBL8046982 1.00 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051346 0.99 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051342 0.99 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8233453 0.96 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8233449 0.96 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046470 0.94 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046466 0.94 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8053983 0.92 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8053980 0.92 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8049273 0.90 KDM4E (0.32) RAB9ANPC1KDM4ESMN1; SMN2RARB

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