SCHEMBL8038482

SCHEMBL8038482

C=C(C)C(=O)N(C)C(C)NC.C=CC(=O)N(C)C(C)NC.C=Cc1ccc(CNC)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.33
MMP9 P14780 1/20 0.30
TP53 P04637 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL7629653 0.81
SCHEMBL7053672 0.71 ALDH1A1 (0.31)
SCHEMBL7051345 0.71 TSHR (0.37)
SCHEMBL3280956 0.69 ALDH1A1 (0.50) MMP8MMP13MMP9TP53TAS1R3
Hydrochloric Acid SCHEMBL10441689 0.68 KDM4E (0.52) MMP8MMP13MMP9TP53TAS1R3
SCHEMBL7950610 0.62 ALDH1A1 (0.41) TP53TAS1R3TAS1R1
SCHEMBL4607284 0.62 KMT2A (0.58)
SCHEMBL10660916 0.62 ERCC1 (0.44) TAS1R3TAS1R1
SCHEMBL27353818 0.62 ERCC1 (0.55) TAS1R3TAS1R1
SCHEMBL29440274 0.62 ERCC1 (0.44) TAS1R3TAS1R1

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-0988154-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG Industries Ohio, Inc. (US) 2000-03-29 EP disclosed
WO-1998056591-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG INDUSTRIES OHIO, INC. (US) 1998-12-17 WO disclosed