SCHEMBL7354883

SCHEMBL7354883

CC(C)(C)OC(=O)NC[CH]Cc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
IDO1 P14902 1/20 0.40
KDM4A O75164 1/20 0.39
NQO2 P16083 1/20 0.39
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
MALT1 Q9UDY8 1/20 0.38
NAMPT P43490 2/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BCHE P06276 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL7345285 0.82 KCNA5 (0.42) KCNA5IDO1KDM4ANQO2MEN1
SCHEMBL4583679 0.79 IDO1 (0.53) IDO1KDM4ANAMPTSYKCTSS
SCHEMBL29637372 0.79 ADRA1A (0.40) KCNA5MEN1NPC1HTTRAB9A
SCHEMBL14156434 0.77 CYP3A4 (0.44) MEN1HTTKMT2AADRA1AADRA1B
SCHEMBL7675373 0.77 ALDH1A1 (0.42) KCNA5MEN1NPC1HTTRAB9A
SCHEMBL2158784 0.75 KCNA5 (0.55) KCNA5KDM4AKMT2ANAMPTLMNA
SCHEMBL951581 0.75 TSHR (0.46) HTTADRA1AADRA1BLMNAALDH1A1
SCHEMBL3499475 0.74 LMNA (0.44) KCNA5MEN1NPC1HTTRAB9A
SCHEMBL166559 0.73 LMNA (0.55) KCNA5IDO1NQO2MEN1NPC1
SCHEMBL6624008 0.73 ADRA1A (0.45) KCNA5KDM4AMEN1NPC1HTT

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