SCHEMBL9724573

SCHEMBL9724573

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC29A1 Q99808 1/20 0.31
CASP1 P29466 1/20 0.30
ELANE P08246 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
SCHEMBL9387260 0.88 KDM4E (0.41) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9697912 0.86 FAAH (0.32) KDM4ELMNAFAAHCASP1
SCHEMBL9699453 0.86 FAAH (0.32) KDM4ELMNAFAAHCASP1
SCHEMBL9697815 0.86 FAAH (0.32) KDM4ELMNAFAAHCASP1
SCHEMBL9314663 0.85 KDM4E (0.36) KDM4ELMNAFAAHESR1CHRM1
SCHEMBL9313468 0.85 KDM4E (0.31) KDM4ELMNAFAAH
SCHEMBL9314593 0.84 KDM4E (0.31) KDM4ELMNAFAAH
SCHEMBL9383057 0.82
SCHEMBL9699088 0.80 FAAH (0.31) FAAH

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
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed