SCHEMBL13410345

SCHEMBL13410345

CCCCCCCCCCCCc1ccc(-c2ccc(C#Cc3ccc(-c4ccc(CCCCCCCCCCCC)s4)cc3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KCNH2 Q12809 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL13410191 0.97 TSHR (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL17088423 0.94 TSHR (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL4949286 0.90 KCNH2 (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL4947793 0.90 KCNH2 (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL4950539 0.90 KCNH2 (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL17088430 0.90 HSD17B10 (0.38) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL4949276 0.89 KCNH2 (0.40) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL17088425 0.88 TSHR (0.41) TSHRHSD17B10KCNH2TRPV1MEN1
SCHEMBL11017453 0.88 TSHR (0.59) TSHRHSD17B10MEN1ALDH1A1MAPT
SCHEMBL5353884 0.87 KCNH2 (0.39) TSHRHSD17B10KCNH2TRPV1CYP2E1

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-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 US disclosed
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