SCHEMBL8046641

SCHEMBL8046641

C=CCc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

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 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HDAC1 Q13547 1/20 0.31
MITF O75030 1/20 0.31
KLF5 Q13887 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KCNA3 P22001 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
SCHEMBL8046637 1.00 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8046480 0.94 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8046482 0.94 NPC1 (0.36) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL7554784 0.90 NPC1 (0.36) NPC1RAB9ACASP3SENP7
SCHEMBL7554787 0.90 NPC1 (0.36) NPC1RAB9ACASP3SENP7
SCHEMBL8047652 0.87 NPC1 (0.40) NPC1RAB9ACASP3SENP7
SCHEMBL8047658 0.87 NPC1 (0.40) NPC1RAB9ACASP3SENP7
SCHEMBL8045855 0.87 NPC1 (0.40) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL8045851 0.87 NPC1 (0.40) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL8046474 0.87 PTGS2 (0.35) KDM4EALDH1A1SMN1; SMN2HDAC1HDAC8

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