SCHEMBL20197242

SCHEMBL20197242

C=C1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
MTOR P42345 1/20 0.50
BCHE P06276 4/20 0.48
ACHE P22303 3/20 0.48
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.39
TACR1 P25103 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3818662 0.81 BCHE (0.55) PDPK1MTORBCHEACHEPSEN1
SCHEMBL2887472 0.81 BCHE (0.55) PDPK1MTORBCHEACHEPSEN1
SCHEMBL7739055 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR
SCHEMBL13207930 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR
SCHEMBL857551 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR
SCHEMBL6822201 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR
SCHEMBL989579 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR
SCHEMBL21510532 0.74 PDPK1 (0.55) PDPK1MTORBCHEACHETSHR
SCHEMBL21510398 0.74 PDPK1 (0.55) PDPK1MTORBCHEACHETSHR
SCHEMBL7261299 0.74 PDPK1 (0.59) PDPK1MTORBCHEACHETSHR

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