SCHEMBL5496557

SCHEMBL5496557

CCCCOC(=O)NC(O)CCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ACHE P22303 7/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CASP1 P29466 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL6387680 0.87 LMNA (0.49) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL11072059 0.85 EPHX1 (0.47) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL6984629 0.85 EPHX1 (0.47) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL6987835 0.84 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL2344663 0.84 EPHX1 (0.43) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL6168367 0.83 KMT2A (0.43) EPHX1ACHEL3MBTL1
SCHEMBL4778612 0.83 EPHX1 (0.40) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL5198190 0.83 ZDHHC7 (0.41) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL4734717 0.82 EPHX1 (0.53) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL17175563 0.82 EPHX1 (0.39) EPHX1ACHEALDH1A1NPC1RAB9A

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-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed