SCHEMBL14041833

SCHEMBL14041833

CCN(CC)c1cncc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TERT O14746 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ CNR2 P34972 5/20 0.33
▸ CNR1 P21554 3/20 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
SCHEMBL84404 0.78 KDM4E (0.46) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14041781 0.74 TERT (0.39) CHRNB2CHRNA4ALDH1A1TSHRMAPK1
SCHEMBL725480 0.73 PRMT5 (0.34) ALDH1A1HTTSMN1; SMN2MEN1HPGD
SCHEMBL13436334 0.73 CHRNB2 (0.32) CHRNB2CHRNA4CYP3A4
SCHEMBL30665750 0.72 SMN1; SMN2 (0.53) CHRNB2CHRNA4ALDH1A1TSHRMAPK1
SCHEMBL13969513 0.72 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1TSHRMAPK1
SCHEMBL748189 0.72 SMN1; SMN2 (0.53) CHRNB2CHRNA4ALDH1A1TSHRMAPK1
SCHEMBL28361799 0.71 PRMT5 (0.33) ALDH1A1HTTSMN1; SMN2MEN1HPGD
SCHEMBL10053135 0.71 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL23260180 0.69 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1MAPTNPC1

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-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 — — WO disclosed
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