SCHEMBL8775091

SCHEMBL8775091

CCCC(F)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
EPHX1 P07099 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
PKM P14618 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL18373853 0.87
SCHEMBL28488917 0.86 SHBG (0.43) SHBGEPHX1CYP1A2
SCHEMBL7888229 0.84 SHBG (0.39) SHBGCYP1A2
SCHEMBL8775662 0.83 SHBG (0.40) SHBGEPHX1CYP1A2MAPT
SCHEMBL29098458 0.80 SHBG (0.56) SHBGEPHX1SMN1; SMN2CYP1A2TP53
Dimethylamine SCHEMBL9836630 0.78 SIGMAR1 (0.39) EPHX1
SCHEMBL23522672 0.75 SHBG (0.50) SHBGEPHX1SMN1; SMN2CYP1A2TP53
SCHEMBL3037218 0.75 EPHX1 (0.50) SHBGEPHX1SMN1; SMN2CYP1A2TP53
SCHEMBL10582810 0.75 EPHX1 (0.50) SHBGEPHX1SMN1; SMN2CYP1A2TP53
SCHEMBL24319748 0.74 SHBG (0.61) SHBGEPHX1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018748-A1 COMPOSITIONS COMPRISING A DRUG DELIVERY VEHICLE SUSPENDED IN A NONAQUEOUS FLUORINATED LIQUID ALLERGAN, INC. (US) 1993-09-30 WO claimed
EP-1648923-B1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES TRANZYME PHARMA INC (CA) 2008-12-31 EP disclosed
EP-0794801-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1997-09-17 EP disclosed
WO-1996016679-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1996-06-06 WO disclosed
WO-1995033494-A1 EMULSIONS OF PARAMAGNETIC CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING (MRI), CONTAINING AN ORGANIC CHELATOR HAVING AN UNSATURATED ALIPHATIC GROUP HEMAGEN/PFC (US) 1995-12-14 WO disclosed
WO-1994014415-A1 FLUOROCARBON EMULSIONS HEMAGEN/PFC (US) 1994-07-07 WO disclosed
WO-1983003201-A1 METHODS OF TREATING THE EYE WITH LIQUID PERFLUOROCARBONS CHILDRENS HOSP MEDICAL CENTER (US) 1983-09-29 WO disclosed
EP-0033402-B1 PERFUSATE FOR PRESERVING ORGAN TO BE TRANSPLANTED AND PRESERVING METHOD The Green Cross Corporation (JP) 1983-09-07 EP disclosed