SCHEMBL6895560

SCHEMBL6895560

CCC(CC)c1[c]c2ccccc2cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL6893319 0.90 PPARG (0.32)
SCHEMBL2502578 0.83 TSHR (0.37) CYP1A2CYP2A6
SCHEMBL6890469 0.80
SCHEMBL6890600 0.80 TAAR1 (0.32)
SCHEMBL198668 0.78 UGT2B7 (0.36) CYP1A2CYP2A6
SCHEMBL5500476 0.77 CSNK1E (0.33) CYP1A2
SCHEMBL6889342 0.77 PPARG (0.33)
SCHEMBL2500200 0.75 L3MBTL1 (0.31)
SCHEMBL8506692 0.75
SCHEMBL6887508 0.74 UGT2B7 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888262-B1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AG (DE) 2004-06-02 EP disclosed
US-6521780-B1 Cycloalkylmalonic ester derivatives as potential active substances in the drugs and crop protection; combinatorial chemistry BASF AKTIENGESELLSCHAFT (DE) 2003-02-18 US disclosed
US-6469056-B1 VERY SELECTIVE INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WITH ACTIVITIES IN THE PICOMOLAR RANGE FOR USE AS HYPOTENSIVE AGENTS ABBOTT LABORATORIES 2002-10-22 US disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
EP-0888262-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997034852-A1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed