SCHEMBL7859007

SCHEMBL7859007

C=CCCc1ccc(-c2ccc(C#Cc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
HTR2A P28223 1/20 0.37
LSS P48449 2/20 0.37
PYCR1 P32322 2/20 0.37
ACACB O00763 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
FFAR1 O14842 6/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TGM2 P21980 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAOB P27338 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
SCHEMBL6141697 1.00 TAAR1 (0.37) TAAR1HTR2ALSSPYCR1ACACB
SCHEMBL7857937 0.95 TAAR1 (0.41) TAAR1HTR2APYCR1ACACBGPR52
SCHEMBL29637029 0.86 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL410871 0.84 TAAR1 (0.50) TAAR1HTR2ALSSPYCR1GPR52
SCHEMBL7858870 0.83 TSHR (0.41) ACACBFFAR1FFAR4
SCHEMBL6142005 0.83 TSHR (0.49) LSSFFAR1
SCHEMBL7858804 0.83 FFAR1 (0.49) TAAR1ACACBFFAR1FFAR4
SCHEMBL7859045 0.83 MAOB (0.44) TAAR1ACACBFFAR1FFAR4ALDH1A1
SCHEMBL6142146 0.83 FFAR1 (0.49) TAAR1ACACBFFAR1FFAR4
SCHEMBL7851897 0.83 TSHR (0.49) LSSFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed