SCHEMBL9686344

SCHEMBL9686344

COc1ccc(COC(=O)N(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.52
CHRM3 P20309 4/20 0.52
CHRM5 P08912 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CHRM2 P08172 2/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
FFAR1 O14842 1/20 0.45
RNF4 P78317 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL5967202 0.95 KEAP1 (0.51) CHRM1CHRM3CHRM5TRPM8ATM
SCHEMBL84134 0.87 ALDH1A1 (0.49) CHRM1CHRM3CHRM5TRPM8KMT2A
SCHEMBL10915717 0.86 LMNA (0.47) CHRM1CHRM3CHRM5KMT2AMEN1
SCHEMBL11790891 0.86 ALDH1A1 (0.48) CHRM1CHRM3CHRM5TRPM8KMT2A
SCHEMBL8165909 0.83 FABP7 (0.45) CHRM1CHRM3CHRM5FABP7FABP5
SCHEMBL1270807 0.80 LMNA (0.51) CHRM1CHRM3CHRM5KMT2ACHRM2
SCHEMBL389034 0.80 TSHR (0.55) CHRM1CHRM3CHRM5KMT2AMEN1
SCHEMBL8510873 0.79 RAB9A (0.50) KMT2AMEN1ATM
SCHEMBL8241261 0.79 TSHR (0.50) CHRM1CHRM3CHRM5TRPM8ATM
SCHEMBL6558020 0.79 ALDH1A1 (0.59) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191989-B1 ANTIBIOTIC ISOXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed
US-4478749-A AMINO ACID DERTIVATIVES ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1984-10-23 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed