SCHEMBL8965214

SCHEMBL8965214

CCCC1(CCC)c2ccccc2-c2ccc(O)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.49
APEX1 P27695 1/20 0.45
PGR P06401 2/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.35
TYR P14679 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL26136640 0.91 TYR (0.40) PDK2LMNAMAPTALOX12NPSR1
SCHEMBL28930025 0.90 PDK2 (0.46) PDK2APEX1MAPTESR2TYR
SCHEMBL29370881 0.84 APEX1 (0.53) PDK2APEX1PGRLMNAMAPT
SCHEMBL9867937 0.84 APEX1 (0.53) PDK2APEX1PGRLMNAMAPT
SCHEMBL1617518 0.84 APEX1 (0.53) PDK2APEX1PGRLMNAMAPT
SCHEMBL26482127 0.83 APEX1 (0.45) PDK2APEX1PGR
SCHEMBL9781137 0.83 APEX1 (0.43) PDK2APEX1PGR
SCHEMBL26135697 0.81 TYR (0.42) PDK2LMNAMAPTALOX12NPSR1
SCHEMBL12095465 0.80 PDK2 (0.47) PDK2APEX1PGRLMNAPOLB
SCHEMBL4341387 0.80 PDK2 (0.47) PDK2APEX1PGRMAPTMEN1

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed