SCHEMBL14369632

SCHEMBL14369632

CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sc(-c8cc(CCCCCCCCCCCC)c(-c9ccc(-c%10ccc(-c%11sc(C)cc%11CCCCCCC)s%10)s9)s8)cc7CCCCCCC)s6)s5)s4)cc3CCCCCCC)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.36
▸ TYR P14679 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ LTB4R Q15722 5/20 0.33
▸ GPR35 Q9HC97 1/20 0.32
▸ PTGS2 P35354 3/20 0.31

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
SCHEMBL85701 1.00 ALOX5 (0.36) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL12144812 1.00 ALOX5 (0.36) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2737068 0.97 ALOX5 (0.36) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2737067 0.96 KCNH2 (0.34) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2737058 0.96 KCNH2 (0.34) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL13201597 0.96 KCNH2 (0.34) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL13410156 0.96 KCNH2 (0.34) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL10819427 0.95 ALOX5 (0.39) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL10819428 0.95 ALOX5 (0.39) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2737072 0.95 ALOX5 (0.39) ALOX5TYRMEN1TP53CYP3A4

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-7282733-B2 Polythiophenes and devices thereof XEROX CORPORATION (US) 2007-10-16 — — US disclosed
US-7282733-B2 Polythiophenes and devices thereof XEROX CORPORATION (US) 2007-10-16 — — US disclosed
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