SCHEMBL5357628

SCHEMBL5357628

CCC1(OC=Cc2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
IDO1 P14902 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL5349510 0.98 RELA (0.39) RELAMEN1KMT2ATRPA1CYP1A2
SCHEMBL5357440 0.77 MEN1 (0.40) RELAMEN1KMT2ATRPA1MAOB
SCHEMBL60042 0.67 RELA (0.53) RELAMEN1KMT2ATRPA1CYP1A2
Benzene SCHEMBL28121960 0.67 RELA (0.53) RELAMEN1KMT2ATRPA1CYP1A2
SCHEMBL17836905 0.67 RELA (0.53) RELAMEN1KMT2ATRPA1CYP1A2
SCHEMBL22201006 0.67 TP53 (0.39) RELAKMT2ACYP3A4LMNASMN1; SMN2
SCHEMBL5357625 0.66 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL73020 0.65
Methyl Alcohol SCHEMBL27549978 0.64 RELA (0.50) RELAMEN1KMT2ATRPA1CYP1A2
SCHEMBL2098848 0.64 RELA (0.46) RELAMEN1KMT2ATRPA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 US disclosed
US-20050214680-A1 Radiation-sensitive resin composition MIYAJI MASAAKI 2005-09-29 US disclosed
US-6933094-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-08-23 US disclosed
US-20020058201-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-05-16 US disclosed
EP-1193558-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-04-03 EP disclosed