SCHEMBL7367128

SCHEMBL7367128

CCOC(=O)NC1Cc2ccccc2[C@@H]1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
ADAM17 P78536 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TAOK1 Q7L7X3 3/20 0.41
MAOB P27338 3/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
TAOK3 Q9H2K8 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7367127 1.00 ATM (0.51) ATMALDH1A1L3MBTL1LMNANR1H4
SCHEMBL8638808 1.00 ATM (0.51) ATMALDH1A1L3MBTL1LMNANR1H4
SCHEMBL7373603 0.89 ATM (0.55) ATMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8635972 0.88 NPC1 (0.42) L3MBTL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7371529 0.88 NPC1 (0.42) L3MBTL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7369920 0.88 NPC1 (0.42) L3MBTL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8652153 0.82 ATM (0.47) ATMALDH1A1L3MBTL1LMNANR1H4
SCHEMBL7336636 0.82 ATM (0.47) ATMALDH1A1L3MBTL1LMNANR1H4
SCHEMBL7336632 0.82 ATM (0.47) ATMALDH1A1L3MBTL1LMNANR1H4
SCHEMBL7370200 0.81 SLC6A2 (0.45) ALDH1A1L3MBTL1LMNAMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711272-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004028-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed