SCHEMBL7616075

SCHEMBL7616075

CCCCc1cccc(OC(=O)Oc2ccccc2C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.45
▸ MTNR1B P49286 2/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ PPARG P37231 3/20 0.44
▸ PPARA Q07869 3/20 0.44
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 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
SCHEMBL8500732 0.91 SLC6A3 (0.47) SLC6A3HTTKMT2A
SCHEMBL5706004 0.87 PTGS2 (0.52) SLC6A3HTTKMT2A
SCHEMBL8500704 0.86 SLC6A3 (0.45) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL7619853 0.84 SLC6A3 (0.48) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL5706040 0.82 THRB (0.50) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL5705973 0.82 THRB (0.50) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL5706019 0.82 THRB (0.50) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL5706117 0.82 THRB (0.50) SLC6A3PPARGPPARAHTTKMT2A
SCHEMBL5705999 0.80 SLC6A3 (0.51) SLC6A3HTTKMT2A
SCHEMBL8498207 0.80 TSHR (0.47) PPARGPPARAKMT2ACYP2D6CYP4F2

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-6423813-B1 FROM PHENOLIC COMPOUNDS TEIJIN LIMITED (JP) 2002-07-23 — — US disclosed
EP-1179556-A1 BRANCHED AROMATIC POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND BLOW-MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-02-13 — — EP disclosed
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