SCHEMBL6206166

SCHEMBL6206166

N#Cc1ccccc1COc1cccc(C(=O)C=C(O)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
FFAR1 O14842 1/20 0.50
NR4A2 P43354 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALKBH1 Q13686 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAOB P27338 3/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
XDH P47989 1/20 0.42
PTPN1 P18031 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL6206165 1.00 SPHK2 (0.50) SPHK2SPHK1FFAR1NR4A2NPC1
SCHEMBL6206160 1.00 SPHK2 (0.50) SPHK2SPHK1FFAR1NR4A2NPC1
SCHEMBL6207849 0.88 NR4A2 (0.46) SPHK2SPHK1FFAR1NR4A2NPC1
SCHEMBL6207845 0.88 NR4A2 (0.46) SPHK2SPHK1FFAR1NR4A2NPC1
SCHEMBL6206807 0.88 NR4A2 (0.46) SPHK2SPHK1FFAR1NR4A2NPC1
SCHEMBL6205999 0.87 FFAR1 (0.49) SPHK2SPHK1FFAR1NPC1RAB9A
SCHEMBL6206002 0.87 FFAR1 (0.49) SPHK2SPHK1FFAR1NPC1RAB9A
SCHEMBL6206005 0.87 FFAR1 (0.49) SPHK2SPHK1FFAR1NPC1RAB9A
SCHEMBL6204958 0.87 MRGPRX4 (0.42) SPHK2SPHK1NR4A2NPC1RAB9A
SCHEMBL6205448 0.87 NR4A2 (0.46) SPHK2SPHK1NR4A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed