SCHEMBL7345285

SCHEMBL7345285

CC(C)(C)OC(=O)NC[CH]OCc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.42
KDM4A O75164 1/20 0.40
NQO2 P16083 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SYK P43405 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NAMPT P43490 1/20 0.36
MIF P14174 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTSS P25774 2/20 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
SCHEMBL7347910 0.90 KCNA5 (0.42) KCNA5KDM4ANQO2LMNAPOLB
SCHEMBL7354883 0.82 KCNA5 (0.43) KCNA5KDM4ANQO2LMNAPOLB
SCHEMBL25961089 0.75 EGFR (0.43) KCNA5LMNAADRA1AADRA1BEGFR
SCHEMBL31617814 0.75 ALDH1A1 (0.44) LMNAHTTKMT2AADRA1AADRA1B
SCHEMBL7675373 0.75 ALDH1A1 (0.42) KCNA5LMNAMEN1NPC1HTT
SCHEMBL2158784 0.73 KCNA5 (0.55) KCNA5KDM4ALMNAKMT2ANAMPT
SCHEMBL951581 0.73 TSHR (0.46) LMNAHTTADRA1AADRA1BEGFR
SCHEMBL26673798 0.72 IDO1 (0.46) KCNA5NQO2LMNANPC1HTT
SCHEMBL7345283 0.72 PPARA (0.40) KCNA5SYKIDO1CTSSCTSL
SCHEMBL3499475 0.72 LMNA (0.44) KCNA5LMNAMEN1NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356888-A Elastase inhibitors FARMITALIA CARLO ERBA (IT) 1994-10-18 US disclosed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP disclosed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP disclosed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO disclosed