SCHEMBL7354875

SCHEMBL7354875

[CH2]C(Cc1ccccc1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CTSS P25774 8/20 0.43
CTSK P43235 7/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KCNA5 P22460 1/20 0.41
ACE P12821 1/20 0.40
MAPT P10636 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
TACR1 P25103 1/20 0.39
IDO1 P14902 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27507125 0.84 ATM (0.45) ATMCTSSCTSKCTSLCTSB
SCHEMBL7345283 0.82 PPARA (0.40) ATMCTSSCTSKCTSLCTSB
SCHEMBL9588404 0.79 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL7349815 0.79 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL18481771 0.79 ALDH1A1 (0.45) KCNA5KMT2A
SCHEMBL26195473 0.75 KDM4E (0.43) CTSSCTSKKCNA5MAPTPPARG
SCHEMBL28296782 0.75 CTSL (0.64) CTSSCTSKCTSLACEMAPT
SCHEMBL28295047 0.75 CTSL (0.64) CTSSCTSKCTSLACEMAPT
SCHEMBL23877844 0.75 ATM (0.46) ATMCTSSCTSKCTSLCTSB
SCHEMBL16970688 0.75 ATM (0.46) ATMCTSSCTSKCTSLCTSB

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
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed