SCHEMBL27790502

SCHEMBL27790502

CCCCOC[C]1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 4/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL27769039 0.98 SMN1; SMN2 (0.42) SMN1; SMN2TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL12981791 0.89
SCHEMBL7765915 0.81 TSHR (0.41) SMN1; SMN2TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL12983289 0.79
SCHEMBL5642714 0.77
SCHEMBL7732760 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7738514 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7739137 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7739677 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7739483 0.76 ALDH1A1 (0.32) ALDH1A1

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
CN-102020730-B Catalyst component used for vinyl polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2013-01-02 CN disclosed
CN-101633705-B Catalyst component used for ethylene polymerization reaction and catalyst thereof SINOPEC CORP. (CN) 2011-06-15 CN disclosed
CN-102020730-A Catalyst component used for vinyl polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2011-04-20 CN disclosed
CN-101633705-A Catalyst component used for ethylene polymerization reaction and catalyst thereof CHINA PETROLEUM & CHEMICAL 2010-01-27 CN disclosed