SCHEMBL11211269

SCHEMBL11211269

CCOC(=O)C1CC1(C#N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 2/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADAM17 P78536 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29302948 0.85 KDM4E (0.40) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL29879837 0.85 KDM4E (0.40) L3MBTL1ALDH1A1HTTMEN1KMT2A
Bicarbonate SCHEMBL29136788 0.81 KDM4E (0.38) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL6081939 0.78 LMNA (0.51) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL15978552 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL15977383 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL15977390 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL6081343 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL15978556 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1HTTTSHRMEN1
SCHEMBL16019176 0.75 L3MBTL1 (0.51) L3MBTL1ALDH1A1HTTTSHRMEN1

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
EP-0015604-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-23 EP disclosed
EP-0015604-A1 Compounds and compositions for use in inhibition of lipogenesis in mammals SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP disclosed
US-4202902-A VETERINARY MEDICINE SHELL OIL COMPANY (US) 1980-05-13 US disclosed