SCHEMBL8036592

SCHEMBL8036592

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PTPN11 Q06124 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RARB P10826 5/20 0.31
MAPT P10636 2/20 0.31
RARA P10276 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR2 P34972 2/20 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
SCHEMBL8036598 1.00 RAB9A (0.33) RAB9ANPC1KDM4EPTPN11SMN1; SMN2
SCHEMBL8051606 0.96 NPC1 (0.32) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051602 0.96 NPC1 (0.32) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8053947 0.92 NPC1 (0.33) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8053942 0.92 NPC1 (0.33) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8051367 0.90 ESR2 (0.35) RARBRARAALDH1A1CNR2
SCHEMBL8051370 0.90 ESR2 (0.35) RARBRARAALDH1A1CNR2
SCHEMBL8054138 0.90 ESR2 (0.35) RARBRARAALDH1A1CNR2
SCHEMBL8054141 0.90 ESR2 (0.35) RARBRARAALDH1A1CNR2
SCHEMBL8037010 0.89 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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