SCHEMBL12757129

SCHEMBL12757129

[C-]#[N+]c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)C(C)(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.37
MMP13 P45452 2/20 0.37
STS P08842 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
LMNA P02545 2/20 0.36
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
ENPP3 O14638 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL12757124 0.91 GFER (0.47) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757094 0.86 LMNA (0.36) GFERALDH1A1MMP13MMP2MMP9
SCHEMBL12757117 0.86 SMN1; SMN2 (0.50) GFERSMN1; SMN2ALDH1A1HTTSTS
SCHEMBL12757123 0.86 ALDH1A1 (0.46) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757127 0.86 ELANE (0.46) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757151 0.85 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL12757125 0.85 MMP13 (0.44) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757119 0.85 ALDH1A1 (0.45) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757118 0.83 BCL2L1 (0.47) GFERSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL12757121 0.83 ALDH1A1 (0.44) GFERSMN1; SMN2ALDH1A1HTTMMP13

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
US-8342674-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20110074897-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed