SCHEMBL8046482

SCHEMBL8046482

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)O)cc3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MITF O75030 1/20 0.33
KLF5 Q13887 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 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
SCHEMBL8046480 1.00 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8046637 0.94 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8046641 0.94 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL7559524 0.90 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL7559517 0.90 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8048575 0.89 KDM4E (0.34) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8048571 0.89 KDM4E (0.34) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8051883 0.87 PTGS2 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8051878 0.87 PTGS2 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8047187 0.87 KDM4E (0.37) NPC1RAB9ACASP3SENP7KDM4E

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