SCHEMBL20486803

SCHEMBL20486803

CCCCOc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.66
NR5A1 Q13285 1/20 0.66
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL18773726 0.88 NR5A1 (0.69) LTA4HNR5A1ESR1ESR2
SCHEMBL13567687 0.88 LTA4H (0.68) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL57167 0.85 LTA4H (0.88) LTA4HNR5A1ESR1ABCG2MEN1
SCHEMBL9394712 0.85 NR5A1 (0.74) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL12588045 0.84 LTA4H (0.66) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL9405317 0.84 LTA4H (0.66) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL1716127 0.83 LTA4H (0.49) LTA4HNR5A1ESR1ESR2MEN1
SCHEMBL10695520 0.82 LTA4H (0.55) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL56529 0.81 NR5A1 (0.96) LTA4HNR5A1ESR1ESR2ABCG2
SCHEMBL6333576 0.81 LTA4H (0.52) LTA4HMEN1KMT2AALDH1A1L3MBTL1

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-2018160871-A2 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2018-09-07 WO disclosed