SCHEMBL7113170

SCHEMBL7113170

CC/C=C\CC1=CCC[C@@H]1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 4/20 0.35
CYP19A1 P11511 3/20 0.35
PPARG P37231 3/20 0.35
OXER1 Q8TDS5 3/20 0.35
MAPT P10636 3/20 0.35
RXRA P19793 2/20 0.35
FFAR1 O14842 2/20 0.35
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
PTGS1 P23219 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL7113174 1.00 TBXA2R (0.42) TBXA2RAKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL28467274 0.76 TBXA2R (0.32) TBXA2R
SCHEMBL7100309 0.75 PTGER2 (0.46) TBXA2RALDH1A1PPARAHPGDHSD17B10
SCHEMBL7101676 0.75 PTGER2 (0.46) TBXA2RALDH1A1PPARAHPGDHSD17B10
SCHEMBL2301426 0.75 TBXA2R (0.33) TBXA2R
SCHEMBL2356962 0.75 TBXA2R (0.33) TBXA2R
SCHEMBL7109595 0.75 TBXA2R (0.38) TBXA2RAKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL7109597 0.75 TBXA2R (0.38) TBXA2RAKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL7109591 0.75 TBXA2R (0.38) TBXA2RAKR1C4AKR1C3AKR1C2ALDH1A1
SCHEMBL21682218 0.71 TP53 (0.37) ALDH1A1PPARGMAPTFFAR1PPARD

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