SCHEMBL13905850

SCHEMBL13905850

CCC(CC)CN1CC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 0.42
S1PR1 P21453 13/20 0.42
S1PR3 Q99500 6/20 0.40
S1PR4 O95977 1/20 0.40
POLB P06746 1/20 0.39
APLNR P35414 1/20 0.35

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
SCHEMBL4678480 0.79 POLB (0.53) S1PR5S1PR1S1PR3S1PR4POLB
SCHEMBL3415496 0.76
SCHEMBL30479891 0.76 POLB (0.42) S1PR5S1PR1S1PR3S1PR4POLB
Hydrochloric Acid SCHEMBL28769763 0.74 S1PR5 (0.47) S1PR5S1PR1S1PR3S1PR4
SCHEMBL1830735 0.73 S1PR5 (0.39) S1PR5S1PR1S1PR3S1PR4POLB
SCHEMBL11917621 0.72 SMN1; SMN2 (0.51) S1PR5S1PR1S1PR3S1PR4
SCHEMBL883930 0.72 S1PR5 (0.38) S1PR5S1PR1S1PR3S1PR4POLB
SCHEMBL883931 0.72 MAPT (0.47) S1PR5S1PR1S1PR3S1PR4POLB
SCHEMBL29226681 0.72 S1PR5 (0.38) S1PR5S1PR1S1PR3S1PR4POLB
SCHEMBL13101700 0.71 APLNR (0.38) S1PR5S1PR1S1PR3S1PR4POLB

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
WO-2009032326-A1 NEW TETRACYCLINE DERIVATIVES AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2009-03-12 WO disclosed