SCHEMBL15929636

SCHEMBL15929636

COc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.44
ESR2 Q92731 7/20 0.42
AR P10275 3/20 0.42
MAOB P27338 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CXCL12 P48061 1/20 0.36
TRIM24 O15164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL13695141 0.89 ESR1 (0.46) ESR1ESR2AR
SCHEMBL6950375 0.85 MAOB (0.52) ESR1ESR2MAOBTMEM97TDP1
SCHEMBL29404885 0.85 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL29925195 0.85 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL3688722 0.85 ESR1 (0.59) ESR1ESR2ARTDP1TP53
SCHEMBL16253392 0.83 ESR1 (0.53) ESR1ESR2ARTDP1TP53
SCHEMBL15929641 0.82 ESR1 (0.69) ESR1ESR2ARMAOBTDP1
SCHEMBL24928749 0.78 ALDH1A1 (0.49) ESR1ESR2TP53ALDH1A1TUBB1
SCHEMBL13185901 0.78 ESR1 (0.67) ESR1ESR2ARTDP1TP53
SCHEMBL16604048 0.78 GAA (0.46) ESR1ESR2ALDH1A1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035287-B2 Polymeric materials for use in metal-oxide-semiconductor field-effect transistors POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20140217395-A1 Polymeric Materials for Use in Metal-Oxide-Semiconductor Field-Effect Transistors POLYERA CORPORATION (US) 2014-08-07 US disclosed