SCHEMBL9314663

SCHEMBL9314663

C=CCOC(=O)NCC(CNC(=O)OCC=C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 2/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC29A1 Q99808 1/20 0.34
ERN1 O75460 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
SCHEMBL9314577 0.92 KDM4E (0.35) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9313277 0.89 KDM4E (0.43) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9724573 0.85 KDM4E (0.33) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9696699 0.85 KDM4E (0.33) KDM4ELMNAFAAH
SCHEMBL9313468 0.84 KDM4E (0.31) KDM4ELMNAFAAH
SCHEMBL9314593 0.82 KDM4E (0.31) KDM4ELMNAFAAH
SCHEMBL9387260 0.82 KDM4E (0.41) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9313224 0.80 KDM4E (0.38) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9696754 0.80 KDM4E (0.41) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL5353362 0.79 BCL2 (0.39) KDM4ELMNAFAAH

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-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed