SCHEMBL20197201

SCHEMBL20197201

OC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.59
MTOR P42345 1/20 0.59
BCHE P06276 3/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 1/20 0.43
ACHE P22303 2/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
SLC6A2 P23975 2/20 0.42
AGXT P21549 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TACR1 P25103 2/20 0.41

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
SCHEMBL989579 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL19479655 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL6822201 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL19479652 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL7261299 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL7739055 1.00 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL13207930 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL1117739 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL857551 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL9452147 0.96 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1

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
EP-2847154-B1 RADIOTRACER, IN PARTICULAR FOR CANCER UNIV DE LORRAINE (FR) 2018-05-30 EP disclosed