SCHEMBL13056552

SCHEMBL13056552

CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5cc(C)c(-c6ccc(-c7sc(C)cc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.31
▸ LTB4R Q15722 2/20 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
SCHEMBL13056553 0.96 TYR (0.35) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14369632 0.93 ALOX5 (0.36) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL85701 0.93 ALOX5 (0.36) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL12144812 0.93 ALOX5 (0.36) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL2737068 0.93 ALOX5 (0.36) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10164697 0.91 ALOX5 (0.36) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13590988 0.90 KCNH2 (0.34) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL2737058 0.90 KCNH2 (0.34) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13410156 0.90 KCNH2 (0.34) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13201597 0.90 KCNH2 (0.34) TYRMEN1TP53CYP3A4ALOX5

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-7837903-B2 Polythiophenes and electronic devices comprising the same XEROX CORPORATION (US) 2010-11-23 — — US disclosed
US-20100140555-A1 POLYTHIOPHENES AND ELECTRONIC DEVICES COMPRISING THE SAME XEROX CORPORATION (US) 2010-06-10 — — US disclosed
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