SCHEMBL8396273

SCHEMBL8396273

O=C(NCC1CC1)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.50
MGLL Q99685 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8944752 0.94 EPHX2 (0.51) GRIN2BMGLLSMN1; SMN2NPC1RAB9A
SCHEMBL8392576 0.94 GRIN2B (0.48) GRIN2BMGLLSMN1; SMN2NPC1RAB9A
SCHEMBL8944739 0.93 EPHX2 (0.53) GRIN2BSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8944397 0.93 EPHX2 (0.53) GRIN2BSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8944652 0.91 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL27493272 0.90 NAAA (0.55) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL9293477 0.87 GRIN2B (0.43) GRIN2BMGLLSMN1; SMN2NPC1RAB9A
SCHEMBL8394496 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL8396686 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL8944423 0.85 HRH4 (0.51) MGLLSMN1; SMN2NPC1RAB9ARECQL

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed