SCHEMBL25865787

SCHEMBL25865787

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
PTGER2 P43116 5/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
BRD4 O60885 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
GAA P10253 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
SCHEMBL11755170 1.00 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL11755165 1.00 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL12189682 0.89 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl-7-Epi-Jasmonate SCHEMBL1302100 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL1302102 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL23196389 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL1301885 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL18853816 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL5964117 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
Methyl Jasmonate SCHEMBL14446250 0.87 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2PTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912985-B2 Methods and compositions for simultaneous editing of both strands of a target double-stranded nucleotide sequence THE BROAD INSTITUTE, INC. (US) 2024-02-27 US disclosed
US-11912985-B2 Methods and compositions for simultaneous editing of both strands of a target double-stranded nucleotide sequence THE BROAD INSTITUTE, INC. (US) 2024-02-27 US disclosed
US-20230220374-A1 METHODS AND COMPOSITIONS FOR SIMULTANEOUS EDITING OF BOTH STRANDS OF A TARGET DOUBLE-STRANDED NUCLEOTIDE SEQUENCE THE BROAD INSTITUTE, INC. (US) 2023-07-13 US disclosed
US-20230220374-A1 METHODS AND COMPOSITIONS FOR SIMULTANEOUS EDITING OF BOTH STRANDS OF A TARGET DOUBLE-STRANDED NUCLEOTIDE SEQUENCE THE BROAD INSTITUTE, INC. (US) 2023-07-13 US disclosed