SCHEMBL13360678

SCHEMBL13360678

CC(C)(C)c1ccc(C2(CO)CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.34
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 2/20 0.33
HDAC1 Q13547 1/20 0.32
SLC22A2 O15244 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
SCHEMBL13360680 0.79 SLC6A2 (0.42) LMNASMN1; SMN2ALDH1A1HSD11B1SLC6A2
SCHEMBL13360681 0.76 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9667369 0.75 SLC6A4 (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8951708 0.74 GAA (0.39) LMNARAB9ASMN1; SMN2TSHRMAPT
SCHEMBL10878264 0.73 LMNA (0.41) LMNATYRNPC1RAB9ASMN1; SMN2
SCHEMBL10051720 0.70 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL16437276 0.69 WDR91 (0.42) LMNATYRRAB9ATSHRMAPT
SCHEMBL9560600 0.68 NPC1 (0.40) LMNATYRNPC1RAB9ASMN1; SMN2
SCHEMBL2680996 0.67 TSHR (0.39) LMNATYRNPC1RAB9ASMN1; SMN2
SCHEMBL12024951 0.67 KCNH2 (0.44) LMNATYRNPC1RAB9ASMN1; SMN2

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
US-20100113678-A1 FLUORINE-CONTAINING NOVOLAC RESIN, FLUORINE-CONTAINING SURFACTANT, FLUORINE-CONTAINING SURFACTANT COMPOSITION, AND RESIN COMPOSITION DIC CORPORATION (JP) 2010-05-06 US disclosed