SCHEMBL9702094

SCHEMBL9702094

CC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL75583 0.84 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8391491 0.81 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8395574 0.81 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8395127 0.77 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10999888 0.77 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8395568 0.76 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8391489 0.76 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31377062 0.76 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL17807554 0.74 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8394952 0.73 CA2 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR

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
US-5128066-A For polymers ETHYL CORPORATION (US) 1992-07-07 US disclosed