SCHEMBL16838071

SCHEMBL16838071

Cc1cc(Cc2cc(C)c(C)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(C)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
SHBG P04278 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HMGB1 P09429 1/20 0.30
CXCL12 P48061 1/20 0.30
HSD11B1 P28845 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
SCHEMBL15831660 0.95 AR (0.39) ARSHBGESR1ESR2HMGB1
SCHEMBL17875401 0.80 SMN1; SMN2 (0.40) ARSHBGESR1ESR2HMGB1
SCHEMBL15745652 0.79 AR (0.34) ARSHBGESR1ESR2HMGB1
SCHEMBL16838065 0.77 ESR2 (0.38) ARESR1ESR2HSD11B1
SCHEMBL15957668 0.75 AR (0.42) ARHSD11B1
SCHEMBL15831657 0.75 ESR2 (0.41) ARESR1ESR2HSD11B1
SCHEMBL15745684 0.74 PGR (0.32) AR
SCHEMBL15957676 0.74 AR (0.41) ARHSD11B1
SCHEMBL15957700 0.73 AR (0.40) ARHSD11B1
SCHEMBL15745662 0.70 AR (0.32) AR

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-9061253-B2 Gas separation membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2015-06-23 US disclosed