SCHEMBL7109595

SCHEMBL7109595

CCC=CCC1=CCCC1OC(=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.38
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL7109591 1.00 TBXA2R (0.38) TBXA2RAKR1C4AKR1C3AKR1C2FFAR1
SCHEMBL7109597 1.00 TBXA2R (0.38) TBXA2RAKR1C4AKR1C3AKR1C2FFAR1
SCHEMBL7113278 0.77 PTGER2 (0.43) TBXA2RALDH1A1
SCHEMBL7113174 0.75 TBXA2R (0.42) TBXA2RAKR1C4AKR1C3AKR1C2FFAR1
SCHEMBL7113170 0.75 TBXA2R (0.42) TBXA2RAKR1C4AKR1C3AKR1C2FFAR1
SCHEMBL7113276 0.70 PTGER2 (0.45) TBXA2RALDH1A1
SCHEMBL2356962 0.69 TBXA2R (0.33) TBXA2R
SCHEMBL7111755 0.67 CTSK (0.32) MAPT
SCHEMBL28467274 0.66 TBXA2R (0.32) TBXA2R
SCHEMBL9326867 0.61 CHRM2 (0.36) ALDH1A1CYP19A1

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