SCHEMBL9803918

SCHEMBL9803918

O=Cc1ccc(OCCCOc2nc3ccccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 13/20 0.51
▸ ATP4B P51164 13/20 0.51
▸ LTA4H P09960 5/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9803904 0.80 HPGD (0.58) HPGD
SCHEMBL1990539 0.79 CETP (0.50) ATP4AATP4BSMN1; SMN2
SCHEMBL6802249 0.78 PPARG (0.57) ATP4AATP4B
SCHEMBL4744464 0.78 ATP4A (0.45) ATP4AATP4BLMNAMAPTSMN1; SMN2
SCHEMBL6806357 0.77 ATP4A (0.57) ATP4AATP4B
SCHEMBL18013086 0.77 MAPT (0.53) ATP4AATP4BLTA4HKCNH2ALDH1A1
SCHEMBL4744468 0.77 PPARG (0.63) ATP4AATP4B
SCHEMBL9803921 0.75 KDM4E (0.42) ATP4AATP4BLTA4HMAPT
SCHEMBL8204708 0.74 ALDH1A1 (0.75) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5090074 0.74 ALDH1A1 (0.75) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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-5075300-A Hypoglycemic and antilipemic agents BEECHAM GROUP P.L.C. (GB) 1991-12-24 — — US disclosed
EP-0356214-A2 Thiazolidine dione derivatives BEECHAM GROUP PLC (GB) 1990-02-28 — — EP disclosed
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