SCHEMBL8766765

SCHEMBL8766765

CCC(C)c1c[c]cc(C(C)CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
RORC P51449 1/20 0.40
GABRA1 P14867 5/20 0.34
GABRB1 P18505 4/20 0.34
GABRB2 P47870 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HPGD P15428 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 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
SCHEMBL27758728 0.83 RORC (0.40) TSHRRORCCA1CA2CYP1A2
SCHEMBL11609816 0.80 GSR (0.38) TSHRRORCCYP1A2ALDH1A1GAA
SCHEMBL930890 0.77 TSHR (0.53) TSHRRORCGABRA1GABRB2HPGD
SCHEMBL1927985 0.75 GABRA1 (0.52) TSHRGABRA1GABRB1GABRB2CA1
SCHEMBL10946690 0.74 CA1 (0.58) TSHRRORCGABRA1GABRB1GABRB2
SCHEMBL560318 0.74 TSHR (0.68) TSHRRORCGABRA1GABRB1GABRB2
SCHEMBL202738 0.74 TSHR (0.68) TSHRRORCGABRA1GABRB1GABRB2
SCHEMBL561299 0.74 TSHR (0.68) TSHRRORCGABRA1GABRB1GABRB2
SCHEMBL560346 0.74 TSHR (0.68) TSHRRORCGABRA1GABRB1GABRB2
SCHEMBL6943323 0.73 TSHR (0.48) TSHRRORCGABRA1GABRB1GABRB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP disclosed
US-5424303-A For treating hypercholesterolemia and hyperlipidemia SYMPHAR SA (CH) 1995-06-13 US disclosed
US-5256488-A Ethylene-vinyl ester or ethylene-alkyl acrylate copolymer, pentaerythritol thiopropionate, and hindered phenol QUANTUM CHEMICAL CORPORATION (US) 1993-10-26 US disclosed
EP-0559079-A1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1993-09-08 EP disclosed
US-4098760-A NON-MIGRATORY, NON-LEACHING UNIROYAL, INC. (US) 1978-07-04 US disclosed
US-3957892-A A CONJUGATED DIENE AND A PHENOL ETHYL CORPORATION (US) 1976-05-18 US disclosed