SCHEMBL1563559

SCHEMBL1563559

CCCCCCCCCCCCCCCCCC(=O)NN=CC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
ATM Q13315 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40

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
SCHEMBL1563552 1.00 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1563010 1.00 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1563013 1.00 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1563688 0.81 HPGD (0.47) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1562776 0.81 HPGD (0.47) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1562771 0.81 HPGD (0.47) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1563681 0.81 HPGD (0.47) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1562940 0.70 ATM (0.75) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL1562939 0.70 ATM (0.75) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL6638156 0.70 ATM (0.75) ALDH1A1CYP1A2CYP2C19LMNAGAA

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-1475408-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE THEREFROM BRIDGESTONE CORP (JP) 2011-04-06 EP disclosed
US-20050176858-A1 Rubber composition and pneumatic tire made therefrom BRIDGESTONE CORPORATION 2005-08-11 US disclosed
EP-1475408-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE THEREFROM Bridgestone Corporation (JP) 2004-11-10 EP disclosed