SCHEMBL19249286

SCHEMBL19249286

C#CCOCC(COCC#C)(COCC#C)NC(=O)c1cc(C(=O)NC(COCC#C)(COCC#C)COCC#C)cc(C(=O)NC(COCC#C)(COCC#C)COCC#C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMPS P49915 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17256253 0.77 TSHR (0.41) TSHR
SCHEMBL18227311 0.75 TSHR (0.36) TSHRKDM4E
SCHEMBL19249813 0.72 TSHR (0.42) L3MBTL1HDAC3HDAC2HDAC8NCOR2
SCHEMBL19610499 0.71 TSHR (0.33) ALDH1A1TSHR
SCHEMBL17268906 0.70 CTSK (0.35) TSHR
SCHEMBL13301163 0.69 NPC1 (0.47) HTTNPC1KDM4E
SCHEMBL20386871 0.68 TSHR (0.35) TSHR
SCHEMBL19153446 0.68 KDM4E (0.35) TSHRKDM4E
SCHEMBL19249812 0.68 HRH3 (0.40) L3MBTL1ALDH1A1TSHR
SCHEMBL21291238 0.68 TSHR (0.53) L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017137895-A1 NEW DENDRIMERIC PYRROLIDINES, THEIR SYNTHESIS AND MEDICAL USE UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-08-17 WO disclosed