SCHEMBL20155546

SCHEMBL20155546

O=C1C[C@@H](OCc2ccccc2)C(F)(F)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
AKT1 P31749 1/20 0.43
PTPN1 P18031 2/20 0.41
CDC25B P30305 1/20 0.41
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL21562481 0.81 CTSV (0.40) AKT1CTSVCTSLCTSBCTSS
SCHEMBL20139397 0.76 BCHE (0.44) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL3142790 0.73 LMNA (0.63) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL7524909 0.72 LMNA (0.48) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL7529905 0.72 LMNA (0.48) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL9266301 0.70 LMNA (0.52) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL21218543 0.70 LMNA (0.52) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL24725534 0.69 BCHE (0.50) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL21283176 0.69 BCHE (0.50) LMNAAKT1PTPN1CDC25BBCHE
SCHEMBL21218218 0.69 BCHE (0.50) LMNAAKT1PTPN1CDC25BBCHE

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
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed