SCHEMBL8652153

SCHEMBL8652153

CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1CCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 2/20 0.41
LTA4H P09960 2/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ADAM17 P78536 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL7336636 1.00 ATM (0.47) ATMALDH1A1ALOX5LTA4HEPHX2
SCHEMBL7336632 1.00 ATM (0.47) ATMALDH1A1ALOX5LTA4HEPHX2
SCHEMBL7336194 0.83 LTA4H (0.46) LTA4HEPHX2BCHE
Hydrochloric Acid SCHEMBL7364278 0.82 LTA4H (0.45) LTA4HEPHX2BCHE
SCHEMBL7367128 0.82 ATM (0.51) ATMALDH1A1L3MBTL1LMNAADAM17
SCHEMBL8638808 0.82 ATM (0.51) ATMALDH1A1L3MBTL1LMNAADAM17
SCHEMBL7367127 0.82 ATM (0.51) ATMALDH1A1L3MBTL1LMNAADAM17
SCHEMBL8650717 0.77 NPC1 (0.41) ALOX5LTA4HEPHX2L3MBTL1MAPT
SCHEMBL7337139 0.77 NPC1 (0.41) ALOX5LTA4HEPHX2L3MBTL1MAPT
SCHEMBL7328301 0.77 NPC1 (0.41) ALOX5LTA4HEPHX2L3MBTL1MAPT

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-0711271-B1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-07 EP disclosed