SCHEMBL8047398

SCHEMBL8047398

C=CCc1ccc2cc(/C=C/CCCC(C)O)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.31
PPARA Q07869 1/20 0.31
LTB4R Q15722 1/20 0.31
ALDH2 P05091 1/20 0.31
GABRA1 P14867 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPGD P15428 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
SCHEMBL8047401 1.00 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8048452 0.88 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8048449 0.88 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8049250 0.85 HDAC1 (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8049254 0.85 HDAC1 (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8054185 0.84 CYP2D6 (0.39) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8054178 0.84 CYP2D6 (0.39) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8046482 0.83 NPC1 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8046480 0.83 NPC1 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8051586 0.83 LTB4R (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1

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