SCHEMBL9508809

SCHEMBL9508809

O=C(c1ccc(CCCCc2ccccc2)cc1)N(Cc1ccccc1)OC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
OXTR P30559 8/20 0.44
AVPR1A P37288 8/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
AGER Q15109 2/20 0.41

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
SCHEMBL10677822 0.89 MGLL (0.43) MGLLOXTRAVPR1AMEN1KMT2A
SCHEMBL9506049 0.86 MEN1 (0.46) MGLLOXTRAVPR1AMEN1KMT2A
SCHEMBL9835089 0.84 ALOX5 (0.47) MGLLMEN1KMT2ALMNA
SCHEMBL2436091 0.78 MEN1 (0.42) OXTRAVPR1AMEN1KMT2A
SCHEMBL14897950 0.77 ALDH1A1 (0.38) OXTRAVPR1AMEN1KMT2AAGER
SCHEMBL9837323 0.76 NPC1 (0.42) MEN1KMT2A
SCHEMBL5020595 0.76 HDAC1 (0.48) MGLLMEN1KMT2A
SCHEMBL14876048 0.74 S1PR3 (0.39) OXTRAVPR1AMEN1KMT2ALMNA
SCHEMBL14875922 0.74 S1PR3 (0.39) OXTRAVPR1AMEN1KMT2ALMNA
SCHEMBL5440957 0.74 PPARG (0.38) OXTRAVPR1AMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed