SCHEMBL8731526

SCHEMBL8731526

O=C(OCc1ccccc1)[C@@H](CC1=CCCC1)OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ AR P10275 1/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ THRB P10828 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL7955716 0.88 ALDH1A1 (0.48) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL7955761 0.88 ALDH1A1 (0.48) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL7067318 0.79 AR (0.43) ALDH1A1HTTARKMT2AMEN1
SCHEMBL7976152 0.77 AR (0.41) ALDH1A1HTTARKMT2AMEN1
SCHEMBL7970022 0.77 AR (0.41) ALDH1A1HTTARKMT2AMEN1
SCHEMBL5968972 0.75 KMT2A (0.46) ALDH1A1ARKMT2AMEN1POLB
SCHEMBL5968978 0.75 KMT2A (0.46) ALDH1A1ARKMT2AMEN1POLB
SCHEMBL9776653 0.72 KMT2A (0.45) ALDH1A1HTTARKMT2AMEN1
SCHEMBL8735356 0.71 CYP3A4 (0.46) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5968974 0.70 KMT2A (0.49) ALDH1A1HTTARKMT2AMEN1

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-0816341-A1 Process for the preparation of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 — — EP claimed
EP-0816341-A1 Process for the preparation of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 — — EP disclosed
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