SCHEMBL7110403

SCHEMBL7110403

CCCCCC1=CCCC1C(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.46
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 4/20 0.39
S1PR5 Q9H228 2/20 0.39
ALDH1A1 P00352 2/20 0.38
RARB P10826 5/20 0.36
SCD O00767 1/20 0.35
MEN1 O00255 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR2 O95136 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL7110404 1.00 PTGER2 (0.46) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5964829 0.76 PTGER2 (0.45) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7051706 0.75 PTGER2 (0.40) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7101676 0.74 PTGER2 (0.46) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7100309 0.74 PTGER2 (0.46) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL23270236 0.72 PTGER2 (0.40) PTGER2ALDH1A1SPHK1
SCHEMBL7106410 0.72 PTGER2 (0.40) PTGER2ALDH1A1SPHK1
SCHEMBL7112580 0.70 PTGER2 (0.42) PTGER2ALDH1A1SPHK1
SCHEMBL7054405 0.70 PTGER2 (0.43) PTGER2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7113283 0.69 PTGER2 (0.43) PTGER2S1PR1S1PR3S1PR4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048643-B1 Process for the preparation of chiral epoxides FIRMENICH & CIE (CH) 2003-10-22 EP disclosed
US-6262288-B1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2001-07-17 US disclosed
EP-1048643-A1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2000-11-02 EP disclosed