SCHEMBL453688

SCHEMBL453688

CC(C)(C)c1ccccc1N.CCCc1cccc(N)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL411734 0.85 NOS2 (0.37) ALDH1A1TSHRTDP1KDM4EGAA
Ammonia Solution, Strong SCHEMBL27657593 0.83 NOS2 (0.36) ALDH1A1TSHRTDP1KDM4EGAA
Ethylene SCHEMBL27977899 0.81 NOS2 (0.35) ALDH1A1TSHRTDP1KDM4EGAA
SCHEMBL27548295 0.76 GABRA1 (0.37) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL2693816 0.75 ALDH1A1 (0.43) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL70170 0.75 TSHR (0.50) CA2ALDH1A1TSHRTDP1GAA
SCHEMBL9563230 0.75 ALDH1A1 (0.35) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL24436222 0.74 KIF11 (0.31)
Diethylaniline SCHEMBL18092108 0.74 TSHR (0.41) ALDH1A1TSHRTDP1KDM4EGAA
SCHEMBL28354971 0.73 CA2 (0.36) CA2ALDH1A1TSHRTDP1KDM4E

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
US-8871317-B2 Curable adhesive system, method of assembly of distinct components therewith TEKNOR APEX COMPANY (US) 2014-10-28 US disclosed
EP-2613933-A2 CURABLE ADHESIVE SYSTEM, METHOD OF ASSEMBLY OF DISTINCT COMPONENTS THEREWITH Teknor Apex Company (US) 2013-07-17 EP disclosed
WO-2012033519-A2 CURABLE ADHESIVE SYSTEM, METHOD OF ASSEMBLY OF DISTINCT COMPONENTS THEREWITH TEKNOR APEX COMPANY (US) 2012-03-15 WO disclosed
US-20120064274-A1 Curable adhesive system, method of assembly of distinct components therewith TEKNOR APEX COMPANY (US) 2012-03-15 US disclosed