SCHEMBL8397202

SCHEMBL8397202

CC(=O)CCC(=O)N(C)Cc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.86
RAB9A P51151 3/20 0.86
KMT2A Q03164 3/20 0.72
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
RIPK1 Q13546 1/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
TSPO P30536 1/20 0.53
CDK4 P11802 1/20 0.52
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
AOC3 Q16853 1/20 0.49

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
SCHEMBL7282371 0.87 NPC1 (0.89) NPC1RAB9AKMT2ACA12CA9
SCHEMBL4072151 0.85 NPC1 (0.85) NPC1RAB9AKMT2ACA12CA9
SCHEMBL5607426 0.84 NPC1 (0.83) NPC1RAB9AKMT2ACA12CA9
SCHEMBL11532673 0.84 NPC1 (0.59) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL1690816 0.84 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL12290151 0.84 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL20954579 0.84 NPC1 (0.82) NPC1RAB9AKMT2ACA12CA9
SCHEMBL4064581 0.84 KMT2A (1.00) NPC1RAB9AKMT2ACA12CA9
SCHEMBL6403459 0.83 NPC1 (0.59) NPC1RAB9AKMT2ACA12CA9
SCHEMBL6403389 0.82 RAB9A (0.79) NPC1RAB9AKMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed