SCHEMBL16005247

SCHEMBL16005247

CCCCCC(N)C(O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
SPHK1 Q9NYA1 2/20 0.46
TP53 P04637 2/20 0.45
LAP3 P28838 2/20 0.45
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
FDPS P14324 1/20 0.41
S1PR2 O95136 5/20 0.39

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
SCHEMBL9575917 0.98 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL9575723 0.98 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL8871150 0.98 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL4540120 0.98 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
Hydrochloric Acid SCHEMBL9794781 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
Water SCHEMBL11079494 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
Hydrochloric Acid SCHEMBL2060002 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
Bromide SCHEMBL28864039 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
Bromide SCHEMBL9575942 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6
Hydrochloric Acid SCHEMBL28112223 0.95 SPHK1 (0.48) OPRM1SPHK1TP53LAP3CYP2D6

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-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP claimed
EP-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP disclosed