SCHEMBL4744464

SCHEMBL4744464

O=Cc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 12/20 0.45
▸ ATP4B P51164 12/20 0.45
▸ CETP P11597 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9005904 0.82 DRD4 (0.46) CETPLMNATP53SMN1; SMN2NPC1
SCHEMBL1990539 0.82 CETP (0.50) ATP4AATP4BCETPTP53SMN1; SMN2
SCHEMBL7922696 0.79 PPARG (0.64) TP53RAB9ADRD4
SCHEMBL2786491 0.79 PPARG (0.53) DRD4
SCHEMBL9005930 0.78 ALDH1A1 (0.50) LMNATP53MAPTDRD4L3MBTL1
SCHEMBL9160316 0.78 PPARG (0.42) CETPLMNATP53SMN1; SMN2DRD4
SCHEMBL7922719 0.78 PPARG (0.48) DRD4
SCHEMBL9005955 0.78 ALOX5 (0.47) LMNATP53SMN1; SMN2DRD4
SCHEMBL9803918 0.78 ATP4A (0.51) ATP4AATP4BLMNASMN1; SMN2MAPT
SCHEMBL5209260 0.77 PPARG (0.43) CETPDRD4

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 — — WO disclosed
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