SCHEMBL7987075

SCHEMBL7987075

CCCCCCC1=CCC[C@@H]1CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.51
NAAA Q02083 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXA2R P21731 4/20 0.36
PRKCA P17252 2/20 0.36
DNTT P04053 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 2/20 0.34
POLA1 P09884 2/20 0.34
EPHX2 P34913 2/20 0.34
EPHX1 P07099 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
SCHEMBL7943227 0.99 PTGER2 (0.49) PTGER2NAAAMEN1ALDH1A1KMT2A
SCHEMBL7054405 0.84 PTGER2 (0.43) PTGER2NAAATBXA2RTHRATHRB
SCHEMBL7100309 0.82 PTGER2 (0.46) PTGER2ALDH1A1TBXA2RPPARA
SCHEMBL7101676 0.82 PTGER2 (0.46) PTGER2ALDH1A1TBXA2RPPARA
SCHEMBL7051766 0.77 PTGER2 (0.39) PTGER2ALDH1A1TBXA2RTHRATHRB
SCHEMBL7156105 0.75 PTGER2 (0.38) PTGER2TBXA2R
SCHEMBL7108440 0.75 MIF (0.33) PTGER2
SCHEMBL7113276 0.74 PTGER2 (0.45) PTGER2NAAAALDH1A1TBXA2RDNTT
SCHEMBL27705699 0.73 PTGER2 (0.40) PTGER2
SCHEMBL5964829 0.73 PTGER2 (0.45) PTGER2NAAAALDH1A1TBXA2RDNTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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