SCHEMBL4411047

SCHEMBL4411047

CCC1CCC2CC1C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.46
MAPK14 Q16539 1/20 0.46
CAMK1D Q8IU85 1/20 0.46
HDAC6 Q9UBN7 3/20 0.38
TBXA2R P21731 2/20 0.38
EPHX2 P34913 1/20 0.37
CXCR3 P49682 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALOX15 P16050 1/20 0.35
S1PR1 P21453 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.32
SCN9A Q15858 4/20 0.31
SCN5A Q14524 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL3651148 0.80 RET (0.53) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL177080 0.80 MAPK14 (0.49) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL14325015 0.80 MAPK14 (0.49) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL2811047 0.80 MAPK14 (0.49) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL3702183 0.80 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL9426196 0.80 RET (0.49) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL3702180 0.80 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL596246 0.80 RET (0.53) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL8316378 0.80 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL14393350 0.80 MAPK14 (0.49) RETMAPK14CAMK1DHDAC6TBXA2R

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
CN-101970387-A Plant for the liquid phase synthesis of isoprene from isobutylene and formaldehyde OBSHESTVO O OGRANICHENNOI OTVE 2011-02-09 CN disclosed
WO-2009082260-A1 PLANT FOR THE LIQUID PHASE SYNTHESIS OF ISOPRENE FROM ISOBUTYLENE AND FORMALDEHYDE OBSHESTVO O OGRANICHENNOI OTVETSTVENNOCTIU 'EUROCHIM SPB-TREIDING' (RU) 2009-07-02 WO disclosed