SCHEMBL10060240

SCHEMBL10060240

O=C1OC(=O)c2cc(OC(O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 5/20 0.37
CA7 P43166 5/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 2/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CA9 Q16790 1/20 0.35
TYMS P04818 1/20 0.34
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL28185341 0.79 TTR (0.52) TDP1ALDH1A1MAOAMAOBMEN1
SCHEMBL12337780 0.79 ALOX15 (0.43) ALOX15TDP1ALDH1A1CA2CA12
SCHEMBL28514010 0.79 TDP1 (0.46) ALOX15TDP1ALDH1A1CA2CA12
SCHEMBL30950420 0.78 MAOA (0.53) ALOX15TDP1ALDH1A1MAOAMAOB
SCHEMBL42261 0.78 MAOA (0.53) ALOX15TDP1ALDH1A1MAOAMAOB
SCHEMBL15260250 0.78 TDP1 (0.50) ALOX15TDP1ALDH1A1CA2MAOA
SCHEMBL28448211 0.77 CA2 (0.38) ALOX15TDP1ALDH1A1CA2CA12
SCHEMBL15139642 0.77 CA2 (0.41) ALDH1A1CA2CA12CA7CA1
SCHEMBL4474802 0.76 CA12 (0.51) TDP1ALDH1A1CA12CA9MEN1
SCHEMBL3320871 0.76 ALOX15 (0.40) ALOX15TDP1ALDH1A1CA2CA12

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
EP-1963400-B1 Method of producing acid functional polyamideimides ALTANA ELEC INSULATION GMBH (DE) 2012-02-01 EP disclosed