SCHEMBL8046852

SCHEMBL8046852

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
SMN1; SMN2 Q16637 9/20 0.43
NPC1 O15118 8/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
MITF O75030 1/20 0.42
KLF5 Q13887 1/20 0.42
MAPT P10636 3/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8046847 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8051110 0.99 RAB9A (0.43) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8051106 0.99 RAB9A (0.43) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8046309 0.95 RAB9A (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8049009 0.95 RAB9A (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8046314 0.95 RAB9A (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8049005 0.95 RAB9A (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8047612 0.94 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8047606 0.94 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8054230 0.93 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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