SCHEMBL7345283

SCHEMBL7345283

[CH2]C(NC(=O)OC(C)(C)C)OCc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
CTSS P25774 8/20 0.39
CTSK P43235 7/20 0.39
KCNA5 P22460 1/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.37
TACR1 P25103 1/20 0.37
SYK P43405 1/20 0.37
IDO1 P14902 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL7347905 0.90 PPARA (0.42) PPARACTSSCTSKKCNA5ATM
SCHEMBL7354875 0.82 ATM (0.43) PPARACTSSCTSKKCNA5ATM
SCHEMBL7881462 0.80 PPARA (0.55) PPARACTSSCTSKATMPPARG
SCHEMBL25961089 0.75 EGFR (0.43) KCNA5
SCHEMBL31617814 0.75 ALDH1A1 (0.44)
SCHEMBL951581 0.73 TSHR (0.46)
SCHEMBL7345285 0.72 KCNA5 (0.42) CTSSCTSKKCNA5CTSLCTSB
SCHEMBL7675373 0.72 ALDH1A1 (0.42) KCNA5
SCHEMBL3499475 0.72 LMNA (0.44) KCNA5
SCHEMBL5429186 0.72 ADRA1A (0.38) KCNA5

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