SCHEMBL19495182

SCHEMBL19495182

CC(c1cc(O)c(O)cc1-c1ccc(O)c(O)c1)C(c1ccc(O)c(O)c1)C(c1ccc(O)c(O)c1)C(c1ccc(O)c(O)c1)C(C[C@@H](c1ccc(O)c(O)c1)C(C)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.35
▸ APP P05067 2/20 0.33
▸ MAPT P10636 8/20 0.32
▸ TDP1 Q9NUW8 8/20 0.32
▸ KDM4E B2RXH2 7/20 0.32
▸ ADRB2 P07550 5/20 0.32
▸ MTOR P42345 4/20 0.32
▸ ADRB1 P08588 4/20 0.32
▸ TSHR P16473 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ADRB3 P13945 3/20 0.32
▸ HIF1A Q16665 3/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32

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
SCHEMBL13637508 0.79 SHBG (0.45) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL881176 0.72 SHBG (0.44) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL12248156 0.71 SHBG (0.49) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL13912410 0.67 SHBG (0.64) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL13637503 0.64 SHBG (0.43) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL107203 0.64 TDP1 (0.59) MAPTTDP1KDM4EADRB2MTOR
SCHEMBL13912408 0.63 ALOX15 (0.59) SHBGMAPTTDP1KDM4EMTOR
SCHEMBL10582745 0.62 TDP1 (0.57) MAPTTDP1KDM4EADRB2MTOR
SCHEMBL11061261 0.62 SHBG (0.49) SHBGMAPTTDP1KDM4EADRB2
SCHEMBL18479371 0.61 KDM4E (0.61) MAPTTDP1KDM4EADRB2MTOR

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
EP-2064251-B1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR KENSEY NASH CORP (US) 2017-10-25 — — EP disclosed
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