SCHEMBL9068085

SCHEMBL9068085

C=C(C)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP26A1 O43174 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MMP12 P39900 2/20 0.43
EEF2K O00418 1/20 0.43
CTSA P10619 2/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL11063512 0.86 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2851129 0.83 KMT2A (0.58) SMN1; SMN2CYP26A1ALDH1A1L3MBTL1KMT2A
SCHEMBL3375103 0.83 KMT2A (0.58) SMN1; SMN2CYP26A1ALDH1A1L3MBTL1KMT2A
SCHEMBL640977 0.83 KMT2A (0.58) SMN1; SMN2CYP26A1ALDH1A1L3MBTL1KMT2A
SCHEMBL28201839 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1
SCHEMBL8577983 0.80 TGFBR1 (0.41) ALDH1A1ATML3MBTL1KDM4E
SCHEMBL14278805 0.79 ITGB3 (0.47) SMN1; SMN2CYP26A1ALDH1A1ATML3MBTL1
SCHEMBL6857593 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CYP26A1ALDH1A1ATML3MBTL1
SCHEMBL472254 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11508098 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4E

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-5549807-A Thermoplastic composites formed by electropolymerization of N-substituted methacrylamide monomers THE UNIVERSITY OF CONNECTICUT (US) 1996-08-27 US claimed
US-5238542-A Onto electrically conductive filler THE UNIVERSITY OF CONNECTICUT (US) 1993-08-24 US claimed