SCHEMBL3655238

SCHEMBL3655238

CCCCCC(O)C(O)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.71
TRPA1 O75762 1/20 0.50
CNR2 P34972 2/20 0.47
MMP2 P08253 9/20 0.43
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
EPHX2 P34913 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL27737794 0.98 CSNK1E (0.73) CSNK1ETRPA1CNR2MMP2MMP1
SCHEMBL3650766 0.98 CSNK1E (0.73) CSNK1ETRPA1CNR2MMP2MMP1
SCHEMBL3652728 0.98 CSNK1E (0.73) CSNK1ETRPA1CNR2MMP2MMP1
SCHEMBL3651529 0.94 CSNK1E (0.63) CSNK1ETRPA1CNR2MMP1
SCHEMBL9716330 0.88 CSNK1E (0.69) CSNK1ETRPA1CNR2MMP2MMP1
SCHEMBL3654793 0.86 TRPA1 (0.55) CSNK1ETRPA1
SCHEMBL12054898 0.84 CSNK1E (0.64) CSNK1ECNR2
SCHEMBL28585706 0.83 CSNK1E (0.63) CSNK1ETRPA1CNR2MMP2MMP1
SCHEMBL11334152 0.83 CSNK1E (0.63) CSNK1ETRPA1CNR2MMP2MMP1
Hydrochloric Acid SCHEMBL9346955 0.83 CSNK1E (0.68) CSNK1ETRPA1CNR2MMP2MMP1

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-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP disclosed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed