SCHEMBL8047530

SCHEMBL8047530

CCCCCOC(C)CCC/C=C/c1cnc(-c2ccc(-c3ccc(O)c(F)c3F)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR2 P34972 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR1 P21554 1/20 0.31
RARB P10826 2/20 0.31
MAOB P27338 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
PTPN11 Q06124 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL8047532 1.00 RAB9A (0.33) RAB9ANPC1KDM4ECNR2SMN1; SMN2
SCHEMBL8046527 0.95 NPC1 (0.32) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046523 0.95 NPC1 (0.32) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051517 0.93 CNR2 (0.31) CNR2ALDH1A1CNR1
SCHEMBL8051511 0.93 CNR2 (0.31) CNR2ALDH1A1CNR1
SCHEMBL8036602 0.91 TNNC1 (0.36) CNR2ALDH1A1CNR1RARBMAOB
SCHEMBL8036608 0.91 TNNC1 (0.36) CNR2ALDH1A1CNR1RARBMAOB
SCHEMBL8045988 0.90 TNNC1 (0.35) CNR2ALDH1A1CNR1RARBMAOB
SCHEMBL8045986 0.90 TNNC1 (0.35) CNR2ALDH1A1CNR1RARBMAOB
SCHEMBL8048994 0.89 ALDH1A1 (0.34) RAB9ANPC1KDM4ECNR2SMN1; 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