SCHEMBL8919905

SCHEMBL8919905

C=CCc1cc(C(=O)OCC)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.41
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8417805 0.91 FDFT1 (0.35) FDFT1ALDH1A1OPRD1HTTRAB9A
SCHEMBL8419678 0.89 FDFT1 (0.39) FDFT1ALDH1A1OPRD1SMN1; SMN2MAPK1
SCHEMBL8417907 0.89 PHLPP2 (0.35) FDFT1ALDH1A1TDP1POLBMAPK1
SCHEMBL8918777 0.88 TDP1 (0.37) FDFT1ALDH1A1TDP1POLBGAA
SCHEMBL8920428 0.87 ALDH1A1 (0.36) FDFT1ALDH1A1OPRD1HTTHPGD
SCHEMBL8419759 0.84 FDFT1 (0.44) FDFT1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8420062 0.83 FDFT1 (0.47) FDFT1
SCHEMBL8919982 0.79 MMP13 (0.46) FDFT1ALDH1A1TDP1POLBGAA
SCHEMBL8421874 0.79 FDFT1 (0.39) FDFT1
SCHEMBL8921229 0.77 ATM (0.43) ALDH1A1POLBSMN1; SMN2MAPK1RAB9A

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
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US claimed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed