SCHEMBL20064291

SCHEMBL20064291

C=CCc1cc(O[C@H]2C[C@H](C(=O)O)C2)c2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH1 P35367 18/20 0.40
KCNH2 Q12809 18/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL20064222 0.89 LMNA (0.45) LMNAMAPTGAAMAPK1SMN1; SMN2
SCHEMBL20065594 0.83 ALDH1A1 (0.46) LMNAMAPTGAAMAPK1SMN1; SMN2
SCHEMBL21222592 0.81 PDE4D (0.46) LMNAMAPTMEN1KMT2A
SCHEMBL21222593 0.81 PDE4D (0.46) LMNAMAPTMEN1KMT2A
SCHEMBL21222109 0.78 LMNA (0.51) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL20064040 0.78 LMNA (0.51) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL20064062 0.77 PPARA (0.31)
SCHEMBL20064061 0.76 PDE4A (0.35) MEN1KMT2ACYP3A4
SCHEMBL20064420 0.73 PPARA (0.57) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL6897816 0.70 KDM4E (0.49) LMNAMAPTGAAMAPK1SMN1; SMN2

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed