SCHEMBL10899010

SCHEMBL10899010

O=S(=O)(CCCCc1ccccc1)CCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.63
▸ MAOA P21397 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MGLL Q99685 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL777369 0.93 CA2 (0.71) CA2MAOAMEN1KMT2AMAPT
SCHEMBL12040714 0.89 CA2 (0.57) CA2MEN1KMT2AMGLLPOLB
SCHEMBL12040650 0.88 CA2 (0.61) CA2MEN1KMT2AMGLLMAPT
SCHEMBL293285 0.84 MAOB (0.54) CA2MAOAMEN1KMT2AMGLL
SCHEMBL8790223 0.84 CA2 (0.61) CA2MAOAMEN1KMT2APOLB
SCHEMBL302785 0.83 CA2 (0.69) CA2MAPTALDH1A1
SCHEMBL7958389 0.83 CA2 (0.50) CA2MAOAMEN1KMT2AMGLL
SCHEMBL3093248 0.83 CA2 (0.65) CA2MAOAMEN1KMT2AMGLL
SCHEMBL15686580 0.83 CA2 (0.65) CA2MEN1KMT2APOLBALDH1A1
SCHEMBL293286 0.83 MEN1 (0.53) CA2MAOAMEN1KMT2AMGLL

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-0133331-B1 PROCESS FOR THE PREPARATION OF ACETIC ACID AND/OR METHYL ACETATE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-11-05 — — EP disclosed
EP-0133331-A1 Process for the preparation of acetic acid and/or methyl acetate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-02-20 — — EP disclosed
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