SCHEMBL9697865

SCHEMBL9697865

C=CCOC(=O)N1C[C@H](CC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)C[C@H]1C(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL9696803 1.00 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9381723 0.87 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9696813 0.86 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9699399 0.84 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9696785 0.82 KDM4E (0.42) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9698231 0.80 ESR1 (0.46) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9697735 0.78 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9020514 0.75 CACNA1C (0.42) ESR1
SCHEMBL9383274 0.75 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9386744 0.74 FAAH (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed