SCHEMBL14453240

SCHEMBL14453240

CC(C)OC(=O)CCCCN1C(=O)CCC[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGER4 P35408 17/20 0.34
▸ PTGER3 P43115 8/20 0.34
▸ PTGER2 P43116 6/20 0.34
▸ LMNA P02545 2/20 0.33

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
SCHEMBL2210287 0.99 ALDH1A1 (0.41) ALDH1A1GAAPTGER4PTGER3PTGER2
SCHEMBL2211707 0.83 ALDH1A1 (0.39) ALDH1A1GAALMNA
SCHEMBL12432872 0.82 ALDH1A1 (0.46) ALDH1A1GAAPTGER4PTGER3PTGER2
SCHEMBL5819682 0.81 PTGER4 (0.36) PTGER4PTGER3PTGER2
SCHEMBL2213020 0.81 GAA (0.47) ALDH1A1GAAPTGER4PTGER3PTGER2
SCHEMBL14470831 0.80 — —
SCHEMBL6686327 0.80 PTGER4 (0.41) ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL6686330 0.80 PTGER4 (0.41) ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL12288856 0.76 ALDH1A1 (0.47) ALDH1A1GAAPTGER4PTGER3PTGER2
SCHEMBL24795959 0.74 PDK2 (0.41) PTGER4PTGER3PTGER2

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-7238710-B2 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA, LTD. (CA) 2007-07-03 — — US disclosed
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