SCHEMBL13410246

SCHEMBL13410246

CCCCCCc1ccsc1-c1ccc(-c2sc(-c3ccc4cc(-c5cc(CCCCCC)c(-c6ccc(-c7sccc7CCCCCC)s6)s5)ccc4c3)cc2CCCCCC)s1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ FUT7 Q11130 1/20 0.30
▸ GPR35 Q9HC97 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
SCHEMBL13410145 0.99 ESR1 (0.31) ESR1ESR2MEN1TP53CYP3A4
SCHEMBL10819418 0.91 MEN1 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL13410117 0.91 MEN1 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL13410171 0.91 — —
SCHEMBL13410153 0.90 — —
SCHEMBL12885218 0.89 MEN1 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL15724615 0.89 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL10819416 0.89 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL20625202 0.89 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL15724622 0.89 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT

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-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 — — US disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 — — US disclosed
Send feedback