SCHEMBL6901879

SCHEMBL6901879

CCOC(=O)C(O)CCc1cccc(C(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL6902265 0.81 CYP4F2 (0.56) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL27993970 0.79 CYP4F2 (0.45) CA1CA2CYP1A2HIF1ATSHR
SCHEMBL6904692 0.78 CYP4F2 (0.53) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL4310563 0.77 GABRA1 (0.50) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL4310555 0.76 GABRA1 (0.57) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL5598897 0.75 CA1 (0.57) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL6901875 0.75 GABRA1 (0.49) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL31028132 0.74 GABRA1 (0.59) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL7066182 0.74 GABRA1 (0.59) SLC6A2CA1CA2CYP1A2HIF1A
SCHEMBL5598806 0.74 ALOX5 (0.44) MAPK1IAPPCYP4F2CYP4A11

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
EP-1430017-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION Theravance, Inc. (US) 2004-06-23 EP disclosed
WO-2003026632-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2003-04-03 WO disclosed