SCHEMBL8074322

SCHEMBL8074322

O=C(NC1CCCCC1)Oc1ccc(-c2ccc(OC(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
RAB9A P51151 1/20 0.76
FAAH O00519 2/20 0.67
EPHX1 P07099 1/20 0.66
LHCGR P22888 1/20 0.66

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
SCHEMBL1690686 0.94 ALDH1A1 (0.82) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL9125666 0.94 ALDH1A1 (0.68) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL1690730 0.87 RAB9A (0.71) ALDH1A1RAB9AFAAHEPHX1
SCHEMBL21618461 0.86 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL1532563 0.86 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL8393776 0.86 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL4190588 0.85 ALDH1A1 (0.74) ALDH1A1RAB9AFAAHEPHX1LHCGR
Bicarbonate SCHEMBL15226094 0.85 ALDH1A1 (0.97) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL29424600 0.85 RAB9A (0.69) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL5115600 0.84 ALDH1A1 (0.97) ALDH1A1RAB9AFAAHEPHX1LHCGR

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
EP-0557721-B1 Polypropylene moulded articles with increased -crystal content and bisamides as -nucleating agents. NEW JAPAN CHEM CO LTD (JP) 2000-10-04 EP claimed