SCHEMBL7096547

SCHEMBL7096547

ICC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ALOX12 P18054 2/20 0.35
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CFTR P13569 1/20 0.34
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
MAPT P10636 1/20 0.33
ALPG P10696 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL808442 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2AGAATSHR
Bromide SCHEMBL28241411 0.75 MEN1 (0.38) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL10665143 0.75 HSP90AA1 (0.35) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL27661786 0.75 MEN1 (0.38) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL8190077 0.75 GAA (0.41) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL9802194 0.75 AOX1 (0.47) ALDH1A1MEN1KMT2AGAATSHR
Bromide SCHEMBL11501984 0.73 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL7523648 0.73 GAA (0.45) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL27728843 0.73 AOX1 (0.42) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL808497 0.73 MEN1 (0.41) ALDH1A1MEN1KMT2AGAATSHR

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
EP-1307579-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES Kosan Biosciences, Inc. (US) 2003-05-07 EP disclosed
WO-2002012534-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES KOSAN BIOSCIENCES, INC. (US) 2002-02-14 WO disclosed