SCHEMBL7920948

SCHEMBL7920948

O=C(O)C[C@H]1CN(Cc2ccccc2)C[C@@H]1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.57
S1PR1 P21453 1/20 0.57
FUCA1 P04066 2/20 0.56
GBA1 P04062 1/20 0.55
GRIN2B Q13224 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
TBXA2R P21731 1/20 0.48
RORC P51449 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL7920954 1.00 S1PR5 (0.57) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL7920949 1.00 S1PR5 (0.57) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL879296 0.84 S1PR5 (0.46) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL19023808 0.83 S1PR5 (0.54) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL20875290 0.83 S1PR5 (0.54) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL19023811 0.83 S1PR5 (0.54) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL19023812 0.83 S1PR5 (0.54) S1PR5S1PR1FUCA1GBA1GRIN2B
SCHEMBL7148453 0.80 S1PR5 (0.51) S1PR5S1PR1FUCA1GRIN2B
SCHEMBL14759418 0.79 GBA1 (0.75) S1PR5S1PR1FUCA1GBA1SIGMAR1
SCHEMBL742926 0.79 GBA1 (0.75) S1PR5S1PR1FUCA1GBA1SIGMAR1

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-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed