SCHEMBL13410263

SCHEMBL13410263

CCCCCCCCCCC=Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(/C=C/CCCCCCCCCC)s4)cc3)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.43
KDM4A O75164 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
MGLL Q99685 1/20 0.34
CCR5 P51681 6/20 0.33
INSR P06213 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL14942330 1.00 TNNC1 (0.43) TNNC1KDM4AKDM2AMGLLCCR5
SCHEMBL4955549 0.76 DPP4 (0.48) MAPTSMN1; SMN2
SCHEMBL13410197 0.75 KDM4A (0.36) TNNC1KDM4AKDM2AMAPTSMN1; SMN2
SCHEMBL7684829 0.74 FAAH (0.44) TNNC1MGLLTDP1TRPV1
SCHEMBL7684840 0.74 FAAH (0.44) TNNC1MGLLTDP1TRPV1
SCHEMBL6046924 0.74 TNNC1 (0.55) TNNC1MGLLKCNH2TRPV1
SCHEMBL13410252 0.72 KDM4A (0.35) TNNC1KDM4AKDM2AMAPTSMN1; SMN2
SCHEMBL13410251 0.72 KDM4A (0.35) TNNC1KDM4AKDM2AMAPTSMN1; SMN2
SCHEMBL13480619 0.72 KDM4E (0.47) TNNC1TP53MAPTSMN1; SMN2
SCHEMBL2788027 0.72 KDM4E (0.43) TNNC1MGLLTP53TRPV1

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