SCHEMBL27430217

SCHEMBL27430217

O=P(O)(O)c1cccc(Oc2ccc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ GPR84 Q9NQS5 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ PGK1 P00558 1/20 0.42
▸ PGK2 P07205 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42

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
SCHEMBL10849592 0.86 CA2 (0.56) L3MBTL1MAOBCA2CA4CA5A
Phosphoric Acid SCHEMBL3360478 0.84 GPR84 (0.55) MEN1KMT2AL3MBTL1MAPTGPR84
SCHEMBL27418397 0.80 HTT (0.50) L3MBTL1MAPTLMNAHTTSMN1; SMN2
SCHEMBL27397070 0.80 MEN1 (0.47) MEN1KMT2AL3MBTL1MAPTLMNA
Pyrophosphoric Acid SCHEMBL28538003 0.79 GPR84 (0.50) MEN1KMT2AL3MBTL1MAPTGPR84
SCHEMBL27395625 0.78 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL756459 0.78 CA2 (0.52) MEN1KMT2AL3MBTL1MAPTGPR84
SCHEMBL16890178 0.78 CYP1A2 (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8151733 0.77 RAB9A (0.50) MAPTNPC1RAB9ATDP1PTPN1
SCHEMBL22480904 0.77 MRGPRX4 (0.60) MEN1KMT2AMAPTHTTSMN1; SMN2

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
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 — — CN disclosed
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