SCHEMBL8054045

SCHEMBL8054045

CCCCCOC(C)CCCC=Cc1cnc(-c2ccc(-c3ncc(O)cn3)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RARB P10826 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NR5A1 Q13285 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
SCHEMBL8054040 1.00 RAB9A (0.39) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8054633 0.97 ABCG2 (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8054630 0.97 ABCG2 (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8047778 0.96 ABCG2 (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8047783 0.96 ABCG2 (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8036622 0.96 ABCG2 (0.39) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8036629 0.96 ABCG2 (0.39) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8047586 0.90 ABCG2 (0.41) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8047581 0.90 ABCG2 (0.41) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8054119 0.90 ABCG2 (0.41) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10

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