SCHEMBL8046720

SCHEMBL8046720

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3)nc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CASP3 P42574 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
MAPT P10636 2/20 0.32
CNR1 P21554 1/20 0.32
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8046716 1.00 RAB9A (0.33) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8048399 0.97 RAB9A (0.34) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8048398 0.97 RAB9A (0.34) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8051483 0.95 RAB9A (0.36) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8051480 0.95 RAB9A (0.36) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8037170 0.93 RAB9A (0.36) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8037167 0.93 RAB9A (0.36) RAB9ANPC1SMN1; SMN2CNR2TP53
SCHEMBL8054327 0.91 CNR2 (0.36) RAB9ASMN1; SMN2CNR2HSD17B10MAPT
SCHEMBL8054325 0.91 CNR2 (0.36) RAB9ASMN1; SMN2CNR2HSD17B10MAPT
SCHEMBL8053810 0.91 CNR2 (0.36) CNR2CNR1

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