SCHEMBL6347671

SCHEMBL6347671

C=C(C)C(CCN1C(=O)c2cccc3cccc(c23)C1=O)OO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 0.54
HEXB P07686 6/20 0.54
OGA O60502 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
RAD52 P43351 1/20 0.48
RCE1 Q9Y256 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL12257025 0.89 HEXA (0.48) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL12922803 0.88 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL6346597 0.83 PRMT1 (0.55) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL6349229 0.80 KDM4E (0.44) HEXAHEXBCYP1B1KMT2AMEN1
SCHEMBL6272260 0.76 KEAP1 (0.65) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL12705828 0.75 HEXA (0.48) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL17084862 0.73 MGLL (0.39) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL28871492 0.73 HEXA (0.68) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL13255250 0.73 KMT2A (0.59) HEXAHEXBOGACYP1B1KMT2A
SCHEMBL6346833 0.73 HEXA (0.55) HEXAHEXBOGACYP1B1KMT2A

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-8173226-B2 Polymerizable compound , polyethylene glycol mono(meth)acrylate, a polystyrene oligomer having a methacryloyl group at one terminal, acrylic macromonomer imides FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed