SCHEMBL8553868

SCHEMBL8553868

CCC=C(C)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.40
ALDH2 P05091 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
MGLL Q99685 1/20 0.40
RECQL P46063 1/20 0.39
POLB P06746 4/20 0.38
LMNA P02545 2/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8553865 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HTTTSHRL3MBTL1ALDH1A1
SCHEMBL3305432 0.79 L3MBTL1 (0.34) L3MBTL1ALDH1A1PHGDHALDH2MGLL
SCHEMBL3305422 0.79 L3MBTL1 (0.34) L3MBTL1ALDH1A1PHGDHALDH2MGLL
SCHEMBL11787909 0.77 HTT (0.46) SMN1; SMN2HTTTSHRPOLBLMNA
SCHEMBL11787914 0.77 HTT (0.46) SMN1; SMN2HTTTSHRPOLBLMNA
SCHEMBL3306859 0.77 F2 (0.37) L3MBTL1ALDH1A1PHGDHALDH2MGLL
SCHEMBL3306866 0.77 F2 (0.37) L3MBTL1ALDH1A1PHGDHALDH2MGLL
SCHEMBL5274271 0.77 HTT (0.46) SMN1; SMN2HTTTSHRL3MBTL1ALDH1A1
SCHEMBL8557483 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HTTTSHRALDH1A1FAAH
SCHEMBL14034172 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HTTTSHRALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503958-B1 Heterocyclic compounds and their production NIPPON PAINT CO LTD (JP) 1998-09-23 EP disclosed
US-5496943-A USING UNSATURATED ACYLISOCYANATE COMPOUNDS TO FORM OXAZOLINES, PYRANS WITH AMINOCARBONYLHETERO SUBSTITUTION AND GLUTARIMIDE DERIVATIVES AS CHEMICAL INTERMEDIATES NIPPON PAINT CO., LTD. (JP) 1996-03-05 US disclosed
EP-0503958-A2 Heterocyclic compounds and their production Nippon Paint Co., Ltd. (JP) 1992-09-16 EP disclosed
US-4188341-A Process for the production of (substituted) 2,6-dimethylanilines CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed