SCHEMBL5436754

SCHEMBL5436754

O=C(OCc1ccccc1)C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PTPN1 P18031 3/20 0.52
PTPRC P08575 1/20 0.52
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL17617120 0.90 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5811660 0.83 PTPN1 (0.43) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27314643 0.83 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27875656 0.81 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27954863 0.81 PTPN1 (0.57) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28371759 0.81 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL1555294 0.81 PTPN1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL284241 0.80 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9579513 0.80 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL8706009 0.79 SMN1; SMN2 (0.68) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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-20070025995-A1 Taxoid derivative covalently linked to tumor-specific antibody and a method for preparing the same MEISTER BIO CO., LTD. (JP) 2007-02-01 US disclosed