SCHEMBL7912754

SCHEMBL7912754

CCCC1CCC(C2CCC(C3CCC(CCc4ccc(CCCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 1/20 0.38
SPHK1 Q9NYA1 8/20 0.36
SPHK2 Q9NRA0 4/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34

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
SCHEMBL7912759 1.00 MAOB (0.40) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7912748 1.00 MAOB (0.40) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7912752 1.00 MAOB (0.40) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7912558 0.94 TSHR (0.38) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7912555 0.94 TSHR (0.38) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7912552 0.94 TSHR (0.38) MAOBMAOAHRH3HTR2ASPHK1
SCHEMBL7902507 0.91 MAOB (0.38) MAOBMAOAHRH3HTR2AALDH1A1
SCHEMBL7902503 0.91 MAOB (0.38) MAOBMAOAHRH3HTR2AALDH1A1
SCHEMBL7902510 0.91 MAOB (0.38) MAOBMAOAHRH3HTR2AALDH1A1
SCHEMBL7909889 0.91 MAOB (0.37) MAOBMAOAHTR2ASPHK1SPHK2

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-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed