SCHEMBL6557136

SCHEMBL6557136

COc1ccccc1C(C=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACHE P22303 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NFE2L2 Q16236 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TLR2 O60603 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
SCHEMBL9694621 0.84 CA1 (0.43) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL28846739 0.82 CA1 (0.42) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL28070366 0.82 POLB (0.41) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL15331984 0.79 CA1 (0.50) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL28017572 0.77 HTR1A (0.40) L3MBTL1ALDH1A1TSHR
SCHEMBL27878019 0.76 CA1 (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL27919783 0.74 TACR1 (0.39) POLBHTTNPSR1L3MBTL1CHRM2
SCHEMBL27382164 0.74 CES2 (0.37) NPSR1IDO1TDO2NFE2L2ALDH1A1
SCHEMBL20656720 0.74 HTT (0.42) HTTIDO1TDO2ALDH1A1TSHR
SCHEMBL13496140 0.73 HTT (0.48) POLBHTTNPSR1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed