SCHEMBL5459899

SCHEMBL5459899

CCCCCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KMT2A Q03164 2/20 0.63
ALOX12 P18054 1/20 0.63
GAA P10253 2/20 0.62
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.55
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
EP300 Q09472 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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
SCHEMBL28931478 1.00 ALDH1A1 (0.63) ALDH1A1KMT2AALOX12GAAKDM4E
SCHEMBL28931497 0.96 ALDH1A1 (0.66) ALDH1A1KMT2AALOX12GAAKDM4E
SCHEMBL28931483 0.91 ALDH1A1 (0.73) ALDH1A1KMT2AALOX12GAAHPGD
SCHEMBL31091435 0.85 EP300 (0.66) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL23048462 0.84 CYP1A2 (0.67) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL28931484 0.83 EPHX1 (0.63) ALDH1A1KMT2AALOX12GAAKDM4E
SCHEMBL5446534 0.82 ALDH1A1 (0.66) ALDH1A1KMT2AALOX12KDM4EHPGD
SCHEMBL14282880 0.81 EP300 (0.56) ALDH1A1KMT2AKDM4EHPGDEP300
SCHEMBL11409817 0.80 SOAT1 (0.64) ALDH1A1KMT2AKDM4EHPGDEP300
SCHEMBL11408794 0.80 SOAT1 (0.64) ALDH1A1KMT2AKDM4EHPGDEP300

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed