SCHEMBL15929634

SCHEMBL15929634

COc1cc(O)ccc1-c1ccc(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.56
ESR1 P03372 5/20 0.56
MAOB P27338 1/20 0.50
GUSB P08236 2/20 0.45
ACHE P22303 1/20 0.44
PTPN1 P18031 1/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLH Q9Y253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL16542335 0.87 ACHE (0.58) ESR2ESR1ACHETP53GAA
SCHEMBL9623648 0.84 MAOB (0.67) ESR2ESR1MAOBGUSBPTPN1
SCHEMBL14455084 0.82 ESR2 (0.63) ESR2ESR1ACHETP53TDP1
SCHEMBL18308821 0.80 ESR2 (0.67) ESR2ESR1MAOBGUSBACHE
SCHEMBL6068072 0.79 TP53 (0.54) ESR2ESR1ACHETP53TDP1
SCHEMBL15929645 0.79 ACHE (0.44) ESR2ESR1ACHETP53GAA
SCHEMBL9938324 0.78 ACHE (0.68) ACHEMAPTSMN1; SMN2CYP3A4MEN1
SCHEMBL14850872 0.78 AKR1C3 (0.55) ACHEPTPN1TP53GAAMAPT
SCHEMBL11950304 0.77 ACHE (0.56) ESR2ESR1MAOBACHETP53
SCHEMBL18308823 0.76 ESR2 (0.57) ESR2ESR1MAOBGUSBACHE

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