SCHEMBL8051845

SCHEMBL8051845

C=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)OCCCCC)cn3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
NPC1 O15118 6/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CNR1 P21554 1/20 0.35
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
HTT P42858 1/20 0.32
STAT3 P40763 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL8051848 1.00 CNR2 (0.37) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8047561 0.91 SMN1; SMN2 (0.41) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8047554 0.91 SMN1; SMN2 (0.41) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8049502 0.91 CNR2 (0.36) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8049503 0.91 CNR2 (0.36) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036771 0.90 SMN1; SMN2 (0.40) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8036768 0.90 SMN1; SMN2 (0.40) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8048773 0.90 CNR2 (0.38) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8048767 0.90 CNR2 (0.38) CNR2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8051446 0.89 CNR2 (0.38) CNR2MAPTCNR1GABRA1GABRB2

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