SCHEMBL8036629

SCHEMBL8036629

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KDM4E B2RXH2 2/20 0.39
NR5A1 Q13285 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LTA4H P09960 1/20 0.36
RARB P10826 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL8036622 1.00 ABCG2 (0.39) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8054040 0.96 RAB9A (0.39) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8054045 0.96 RAB9A (0.39) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8047586 0.94 ABCG2 (0.41) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8054119 0.94 ABCG2 (0.41) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8047581 0.94 ABCG2 (0.41) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8054115 0.94 ABCG2 (0.41) ABCG2RAB9ANPC1KDM4ENR5A1
SCHEMBL8054630 0.93 ABCG2 (0.38) ABCG2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8054633 0.93 ABCG2 (0.38) ABCG2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8047783 0.92 ABCG2 (0.38) ABCG2RAB9ANPC1KDM4ESMN1; SMN2

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