SCHEMBL8037217

SCHEMBL8037217

C=CCc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)nc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
CNR2 P34972 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 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
SCHEMBL8037211 1.00 NPC1 (0.32) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8048518 0.94 RAB9A (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8048522 0.94 RAB9A (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8046304 0.94 CNR2 (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8046299 0.94 CNR2 (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8036874 0.94 CNR2 (0.34) NPC1RAB9ASMN1; SMN2CNR2TP53
SCHEMBL8036878 0.94 CNR2 (0.34) NPC1RAB9ASMN1; SMN2CNR2TP53
SCHEMBL8047390 0.91 RAB9A (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8047385 0.91 RAB9A (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8036806 0.90 CNR2 (0.36) NPC1RAB9ASMN1; SMN2CNR2TP53

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