SCHEMBL12715545

SCHEMBL12715545

CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)c(Br)s5)s4)c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc34)s2)sc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.39
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ APP P05067 1/20 0.34
▸ SMPD1 P17405 1/20 0.33
▸ FPR1 P21462 2/20 0.33
▸ ALOX15B O15296 1/20 0.33
▸ ALOX12 P18054 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
SCHEMBL12715544 0.95 PTGES (0.36) PTGESCASP3SENP8SENP7SENP6
SCHEMBL12715483 0.84 PTGES (0.36) PTGESCASP3SENP8SENP7SENP6
SCHEMBL15052877 0.83 KDM4E (0.40) ALDH1A1HPGDMAPT
SCHEMBL13657959 0.81 PTGES (0.34) PTGESCASP3SENP8SENP7SENP6
SCHEMBL15051799 0.81 GPR84 (0.43) ALDH1A1HPGDMAPT
SCHEMBL12131282 0.81 GPR84 (0.43) ALDH1A1HPGDMAPT
SCHEMBL15052258 0.81 GPR84 (0.43) ALDH1A1HPGDMAPT
SCHEMBL13657939 0.81 PTGES (0.34) PTGESCASP3SENP8SENP7SENP6
SCHEMBL15052095 0.80 RARB (0.38) ALDH1A1HPGDMAPT
SCHEMBL13845373 0.79 MEN1 (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923529-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-12 — — US disclosed
US-20090256143-A1 OLIGOTHIOPHENE-ARYLENE DERIVATIVES AND ORGANIC THIN FILM TRANSISTORS USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-10-15 — — US disclosed
US-7541424-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-06-02 — — US disclosed
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