SCHEMBL15929643

SCHEMBL15929643

Cc1ccc(-c2cc(C)c(-c3ccc(S)cc3)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
ACHE P22303 1/20 0.36
PTGS2 P35354 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
PTGS1 P23219 1/20 0.34
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15932981 0.93 ESR2 (0.35) TDP1ALDH1A1ESR2
SCHEMBL23908222 0.88 TDP1 (0.47) TDP1LDHALDHBACHEPTGS2
SCHEMBL26742420 0.84 ESR2 (0.41) TDP1ADORA3MEN1RAB9AKMT2A
SCHEMBL10110943 0.84 ESRRA (0.41) TDP1ADORA3MEN1RAB9AKMT2A
SCHEMBL12960035 0.80 ACHE (0.50) TDP1ACHEALDH1A1LMNAHPGD
SCHEMBL862135 0.80 ACHE (0.50) TDP1ACHEALDH1A1LMNAHPGD
SCHEMBL26046673 0.79 ACHE (0.38) TDP1ACHEPTGS2ADORA3MEN1
SCHEMBL15929640 0.77 ACHE (0.59) LDHALDHBACHEMEN1KMT2A
SCHEMBL72612 0.77
SCHEMBL21022113 0.76 PTGS2 (0.46) LDHALDHBACHEPTGS2PTGS1

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