SCHEMBL18922917

SCHEMBL18922917

COc1ccc(O)c(-c2cc(O)c(OOI)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RECQL P46063 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ ALOX15 P16050 3/20 0.38

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
SCHEMBL17431233 0.87 KDM4E (0.33) GAAKDM4EMAPTALDH1A1RECQL
SCHEMBL16024771 0.86 NPC1 (0.46) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL8440252 0.76 NPC1 (0.61) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL29763172 0.76 NPC1 (0.61) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL18924725 0.72 MAOB (0.58) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL29083062 0.70 GAA (0.52) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL11616701 0.69 NPC1 (0.54) GAAKDM4EMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL6781089 0.69 ALDH1A1 (0.53) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL9068308 0.68 NPC1 (0.53) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL6575715 0.67 PDE10A (0.52) GAAKDM4EMAPTALDH1A1MEN1

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-9670108-B2 Bisphosphites having a central 2,3′-biphenol unit EVONIK DEGUSSA GMBH (DE) 2017-06-06 — — US disclosed
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