SCHEMBL11513391

SCHEMBL11513391

CCCCCCC1C(=O)CCC1OC(=O)CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 5/20 0.48
▸ PTGER4 P35408 3/20 0.48
▸ PTGER3 P43115 3/20 0.48
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRKCA P17252 7/20 0.38
▸ TLR4 O00206 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL11513716 0.99 PTGER2 (0.47) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL11514707 0.91 PTGER2 (0.43) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL11513306 0.89 PTGER2 (0.37) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL11514431 0.88 PTGER2 (0.41) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL11516297 0.88 PTGER2 (0.43) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL2363827 0.86 PTGER2 (0.42) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL11514477 0.85 PTGER2 (0.43) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL27869221 0.83 PRKCA (0.48) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL8516209 0.82 PRKCA (0.46) PTGER2PTGER4PTGER3TSHRHTT
SCHEMBL29068788 0.82 PRKCA (0.46) PTGER2PTGER4PTGER3TSHRHTT

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-4163109-A Process for the preparation of cyclic ketones SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1979-07-31 — — US disclosed
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