SCHEMBL13667487

SCHEMBL13667487

CCC(C)(C)C(=O)OCCCNC(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
EPHX1 P07099 4/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
GHSR Q92847 1/20 0.46
FPR2 P25090 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL801356 0.92 SMN1; SMN2 (0.53) ALDH1A1EPHX1HTTLMNAKDM4E
SCHEMBL801355 0.81 EPHX2 (0.48) ALDH1A1EPHX1HTTSMN1; SMN2HDAC1
SCHEMBL1104199 0.81 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL14983567 0.80 SMN1; SMN2 (0.57) ALDH1A1EPHX1HTTLMNAKDM4E
SCHEMBL2742140 0.79 EPHX2 (0.49) ALDH1A1EPHX1NPSR1MAPTCYP1A2
SCHEMBL19822027 0.78 EPHX1 (0.38) EPHX1MAPT
SCHEMBL10595824 0.78 LMNA (0.68) ALDH1A1EPHX1HTTLMNAKDM4E
SCHEMBL13223590 0.78 EPHX1 (0.47) ALDH1A1EPHX1HTTSMN1; SMN2NPSR1
SCHEMBL12126301 0.77 EPHX2 (0.45) ALDH1A1SMN1; SMN2HDAC1MAPTKMT2A
SCHEMBL18364395 0.77 ALDH1A1 (0.63) ALDH1A1EPHX1HTTLMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246693-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed