SCHEMBL9726108

SCHEMBL9726108

C=CCOC(=O)N1CCC[C@H]1C=CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC29A1 Q99808 1/20 0.38
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
FAAH O00519 3/20 0.31
MGLL Q99685 1/20 0.31
RAB9A P51151 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
SCHEMBL9726106 1.00 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9726094 0.89 FAAH (0.32) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9726099 0.89 FAAH (0.32) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9195918 0.84 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9726010 0.84 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9726005 0.84 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9195915 0.84 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9195919 0.84 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9726009 0.82 CACNA1C (0.35) ESR1MEN1KMT2APTGS1FAAH
SCHEMBL9196773 0.82 ESR1 (0.41) KDM4ELMNAESR1CHRM1SLC6A4

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
US-5081237-A Chemical intermediates for bactericides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-14 US disclosed
US-4923857-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0330108-A1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 EP disclosed