SCHEMBL4251337

SCHEMBL4251337

CCCCCCCCCCCCCCCCCc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.54
GAA P10253 7/20 0.52
ALDH1A1 P00352 4/20 0.52
ERAP1 Q9NZ08 1/20 0.52
POLB P06746 4/20 0.52
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
HTT P42858 7/20 0.51
MAPT P10636 6/20 0.51
ALOX15 P16050 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
TYR P14679 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 8/20 0.51
NOD2 Q9HC29 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50

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
Water SCHEMBL27385678 0.99 HSD17B3 (0.52) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL4527127 0.99 HSD17B3 (0.55) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL27844746 0.94 GAA (0.58) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL15082511 0.88 HSD17B3 (0.59) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL30405545 0.84 HSD17B3 (0.65) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL220708 0.84 HSD17B3 (0.65) HSD17B3GAAALDH1A1ERAP1POLB
SCHEMBL27380273 0.83 MAOA (0.56) HSD17B3GAAALDH1A1ERAP1MEN1
SCHEMBL11878333 0.82 SRC (0.58) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL28535264 0.81 MAOB (0.59) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL21385208 0.81 MAOB (0.59) GAAALDH1A1POLBMEN1KMT2A

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-2118129-A2 ISOLATED PHOSPHOLIPID-PROTEIN PARTICLES Life Technologies Corporation (US) 2009-11-18 EP disclosed
WO-2008106660-A2 ISOLATED PHOSPHOLIPID-PROTEIN PARTICLES INVITROGEN CORPORATION (US) 2008-09-04 WO disclosed