SCHEMBL8888095

SCHEMBL8888095

O=C(OCC1CCC1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP2 Q9UGN5 1/20 0.43
PDE1C Q14123 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGIR P43119 2/20 0.40
PTGDR Q13258 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ADORA2B P29275 2/20 0.39

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
SCHEMBL29550444 0.79 HTR2A (0.50) ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL8886446 0.78 MGLL (0.45) SMN1; SMN2HTT
SCHEMBL8886064 0.78 MMP2 (0.40) ALDH1A1RAB9ASMN1; SMN2TDP1GAA
SCHEMBL8308800 0.77 SMN1; SMN2 (0.38) ALDH1A1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL516278 0.77 TDP1 (0.56) ALDH1A1SMN1; SMN2TDP1
SCHEMBL8309536 0.77 SMN1; SMN2 (0.38) ALDH1A1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL8308799 0.77 SMN1; SMN2 (0.38) ALDH1A1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL8308796 0.77 SMN1; SMN2 (0.38) ALDH1A1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL5017678 0.76 HTR2A (0.50) ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL25445958 0.76 CARM1 (0.58) ALDH1A1KMT2ATDP1LMNACHRNB2

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-5700817-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD. (KR) 1997-12-23 US disclosed