SCHEMBL6629979

SCHEMBL6629979

Cc1c(-c2ccccc2)c(=O)oc2cc(OC=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 3/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 2/20 0.64
STAT1 P42224 1/20 0.64
ERAP1 Q9NZ08 1/20 0.62
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 3/20 0.50
ACHE P22303 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB1 P08183 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL6632377 0.89 NPC1 (0.70) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7122333 0.85 NPC1 (0.68) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL6630357 0.82 PDK1 (0.59) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7912467 0.81 KDM4E (0.73) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL6631563 0.77 KDM4E (0.52) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL1608015 0.77 ERAP1 (1.00) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7123957 0.77 NPC1 (0.80) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL4449250 0.76 ERAP1 (0.68) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL5650933 0.76 KMT2A (0.62) NPC1ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7120381 0.75 ABCB1 (0.59) NPC1ALDH1A1KDM4ERAB9AKMT2A

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-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed