SCHEMBL2529604

SCHEMBL2529604

CCCCCNC(=O)NC(C)(COc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 2/20 0.46
TSHR P16473 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NAAA Q02083 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL5309684 0.76 ALPL (0.44) ALDH1A1L3MBTL1
SCHEMBL8366672 0.73 RECQL (0.79) RECQLTSHRKMT2A
SCHEMBL24095915 0.72 EPHX1 (0.55) EPHX1ALDH1A1HTTRECQLTSHR
SCHEMBL7140263 0.72 EPHX1 (0.61) EPHX1ALDH1A1HTTNAAA
SCHEMBL14112030 0.72 RECQL (0.77) RECQLTSHRZDHHC2NAAAKMT2A
SCHEMBL10599988 0.72 RECQL (0.77) RECQLTSHRZDHHC2NAAAKMT2A
SCHEMBL11652830 0.71 RECQL (0.43) EPHX1ALDH1A1HTTRECQLTSHR
SCHEMBL7913580 0.71 LTA4H (0.47) ALDH1A1HTTRECQLTSHRZDHHC2
SCHEMBL19786680 0.70 MGLL (0.68) ZDHHC2
SCHEMBL28509572 0.70 LTA4H (0.46) ALDH1A1HTTZDHHC2NAAA

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-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 US disclosed