SCHEMBL11729341

SCHEMBL11729341

CCCOCC(O)CCN1C(=O)CSC1CCCCCCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.39
PTGER4 P35408 4/20 0.36
PTGER3 P43115 4/20 0.36
PPARG P37231 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NR2E3 Q9Y5X4 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARA Q07869 1/20 0.32

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
SCHEMBL11728345 0.90 PTGER4 (0.42) PTGER2PTGER4PTGER3
SCHEMBL11727905 0.88 PTGER2 (0.45) PTGER2PTGER4PTGER3PPARGTDP1
SCHEMBL11732298 0.88 PTGER2 (0.45) PTGER2PTGER4PTGER3PPARGTDP1
SCHEMBL11732308 0.88 PTGER2 (0.45) PTGER2PTGER4PTGER3PPARGTDP1
SCHEMBL11661136 0.82 PTGER4 (0.49) PTGER2PTGER4PTGER3
SCHEMBL11733544 0.82 ADRB2 (0.39) PTGER2PTGER3
SCHEMBL11737293 0.81 PTGER2 (0.36) PTGER2PTGER4PTGER3PPARGTDP1
SCHEMBL11730961 0.81 MAPT (0.39) PTGER2PTGER4PTGER3PPARGTDP1
SCHEMBL11733502 0.79 POLB (0.37) PTGER2PTGER3MAPT
SCHEMBL11245195 0.78 PTGER4 (0.47) PTGER2PTGER4PTGER3

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-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 US disclosed