SCHEMBL19656358

SCHEMBL19656358

CC(C)C(F)(COc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
KCNA3 P22001 1/20 0.39
LTA4H P09960 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CYP2D6 P10635 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL14241270 0.75 KCNA3 (0.43) LMNAKCNA3LTA4HCYP2D6HTR1D
SCHEMBL14227125 0.75 KCNA3 (0.43) LMNAKCNA3LTA4HCYP2D6HTR1D
SCHEMBL24023464 0.74 LMNA (0.44) LMNAMAOAPTGS1KCNA3LTA4H
SCHEMBL12956629 0.74 KCNA3 (0.46) LMNAKCNA3LTA4HCYP2D6HTR1D
SCHEMBL2280790 0.73 ALDH1A1 (0.50) LMNAKCNA3LTA4HHDAC1HDAC2
SCHEMBL28126443 0.71 LMNA (0.49) LMNAKCNA3LTA4HHDAC1HDAC2
Water SCHEMBL27843768 0.71 LMNA (0.49) LMNAKCNA3LTA4HHDAC1HDAC2
SCHEMBL11942124 0.71 KCNA3 (0.43) LMNAKCNA3LTA4HHTR1DHTR1B
SCHEMBL7684463 0.71 CFTR (0.47) LMNAKCNA3HDAC1HDAC2
SCHEMBL10076987 0.70 LMNA (0.41) LMNAMAOAPTGS1KCNA3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017203280-A1 FLUOROSURFACTANTS SPHERE FLUIDICS LIMITED (GB) 2017-11-30 WO disclosed