SCHEMBL9163697

SCHEMBL9163697

O=C(O)CN(C(=O)Oc1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9164717 0.98 ALDH1A1 (0.47) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL1836770 0.89 ALDH1A1 (0.49) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL3482849 0.85 ALDH1A1 (0.44) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL7801189 0.79 ENPP2 (0.55) L3MBTL1
SCHEMBL11067886 0.79 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL22285161 0.78 ENPP2 (0.57) ALDH1A1L3MBTL1
SCHEMBL190556 0.78 ENPP2 (0.57) ALDH1A1L3MBTL1
SCHEMBL8063671 0.78 ALDH1A1 (0.53) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL6512103 0.78 ALDH1A1 (0.53) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL8027933 0.77 ATM (0.45) ALDH1A1RAB9AL3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477639-B1 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1995-04-12 EP disclosed
US-5371267-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0477639-A1 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1992-04-01 EP disclosed