SCHEMBL8918254

SCHEMBL8918254

B.CC=Cc1cc(C(=O)OCC)ccc1OCC1C(O)C2CCN1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 2/20 0.34
FDFT1 P37268 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HSD17B2 P37059 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
SCHEMBL8772672 0.74 MMP13 (0.44) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL8592554 0.74 MMP13 (0.44) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL8592547 0.74 MMP13 (0.44) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL8921289 0.67 TDP1 (0.45) TDP1ALDH1A1SMN1; SMN2POLBGAA
SCHEMBL21828917 0.65 CA12 (0.51) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL13264862 0.63 ALDH1A1 (0.47) TDP1ALDH1A1RAB9ANPC1HPGD
SCHEMBL10841951 0.63 ALDH1A1 (0.41) TDP1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL8919982 0.63 MMP13 (0.46) TDP1ALDH1A1SMN1; SMN2POLBGAA
SCHEMBL28346527 0.62 HTT (0.47) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL8903680 0.62 KMT2A (0.58) ALDH1A1SMN1; SMN2POLBLMNAKMT2A

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