SCHEMBL6239712

SCHEMBL6239712

Cc1cc(CC(C)(C)C)[c]c(CC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL534094 0.72 ESR1 (0.36) ESR1
SCHEMBL16673269 0.70 ESR1 (0.44) ALDH1A1TSHRCA2POLBTYR
SCHEMBL263267 0.70 NOS3 (0.34) ALDH1A1TSHRRAPGEF4
SCHEMBL16673539 0.69 ESR1 (0.42) ALDH1A1TSHRCA2POLBTYR
SCHEMBL28344918 0.68 ESR1 (0.38) ESR1
SCHEMBL1780256 0.67 NOS2 (0.39) ALDH1A1
SCHEMBL23248041 0.65 ESR1 (0.31) ESR1
SCHEMBL2306795 0.65 ACHE (0.32) ALDH1A1
SCHEMBL8008745 0.65 NOS2 (0.40) ALDH1A1TSHR
SCHEMBL1777232 0.63 NOS2 (0.42) ALDH1A1TYRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084163-B1 IMPROVED SYNDIOTACTIC VINYLIDENE AROMATIC POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2005-06-01 EP disclosed