SCHEMBL7898909

SCHEMBL7898909

CCCCCc1cccc(C[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
PLA2G6 O60733 2/20 0.36
PLA2G4A P47712 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
XIAP P98170 1/20 0.34
SPHK2 Q9NRA0 3/20 0.34
SPHK1 Q9NYA1 2/20 0.34

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
SCHEMBL7893126 0.72 S1PR3 (0.41) S1PR3PPARAPPARGPLA2G6PLA2G4A
SCHEMBL7892968 0.71 ABCB1 (0.40)
SCHEMBL18109330 0.69 ABCB1 (0.43) MEN1POLBKMT2ACNR2
SCHEMBL8518305 0.64 LPL (0.66) PPARAPPARGLPLLIPG
Setogepram SCHEMBL289216 0.64 ALDH1A1 (0.69) PPARAPPARGLPLLIPG
Setogepram SCHEMBL29395927 0.64 ALDH1A1 (0.69) PPARAPPARGLPLLIPG
SCHEMBL288982 0.64 PPARA (0.60) PPARAPPARGLPLLIPG
Propionic Acid SCHEMBL29170106 0.63 PPARA (0.59) PPARAPPARGLPLLIPG
SCHEMBL7257290 0.63 LPL (0.61) PPARAPPARGLPLLIPG
SCHEMBL25173309 0.63 MAPT (0.66) S1PR3PPARAPPARGMEN1KMT2A

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
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed