SCHEMBL13637503

SCHEMBL13637503

CCC(CCC(c1ccc(O)c(O)c1)C(CC(c1ccc(O)c(O)c1)C(c1ccc(O)c(O)c1)C(C)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.43
▸ ADRB2 P07550 6/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 10/20 0.37
▸ TDP1 Q9NUW8 8/20 0.37
▸ MAPK1 P28482 5/20 0.37
▸ MAPT P10636 8/20 0.34
▸ HSD17B10 Q99714 6/20 0.34
▸ RECQL P46063 5/20 0.34
▸ HIF1A Q16665 5/20 0.34
▸ TSHR P16473 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MTOR P42345 4/20 0.34
▸ ADRB1 P08588 4/20 0.34
▸ NFKB1 P19838 3/20 0.34
▸ BLM P54132 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ADRB3 P13945 3/20 0.34

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
SCHEMBL13912464 0.91 SHBG (0.46) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL13637508 0.82 SHBG (0.45) SHBGADRB2PTGS2KDM4ETDP1
SCHEMBL881176 0.75 SHBG (0.44) SHBGADRB2PTGS2KDM4ETDP1
SCHEMBL13984318 0.74 HSD17B10 (0.49) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL19425427 0.72 TDP1 (0.50) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL13912410 0.72 SHBG (0.64) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL21851714 0.72 TDP1 (0.56) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL12248156 0.68 SHBG (0.49) SHBGADRB2PTGS2KDM4ETDP1
SCHEMBL27982155 0.68 TDP1 (0.49) SHBGADRB2PTGS2OPRK1SLC6A3
SCHEMBL26015539 0.67 SHBG (0.66) SHBGADRB2PTGS2OPRK1SLC6A3

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-7622533-B2 Biomimetic compounds and synthetic methods therefor NERITES CORPORATION (US) 2009-11-24 — — US disclosed
US-20080171836-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR KENSEY NASH CORPORATION 2008-07-17 — — US disclosed
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