SCHEMBL9305047

SCHEMBL9305047

Cc1cc(O)cc2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(C(=O)O)c(O)c(-c3ccccc3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 2/20 0.32
ACHE P22303 1/20 0.32
P2RX3 P56373 1/20 0.31
PLA2G2A P14555 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL9305038 0.75 DPP4 (0.34) FABP3FABP4SMN1; SMN2CCNB2CDK1
SCHEMBL31643743 0.69 CYP3A4 (0.43) CYP3A4ACHEP2RX3MEN1KMT2A
SCHEMBL31643549 0.68 MEN1 (0.37) PPARGSMN1; SMN2CYP3A4ACHEPLA2G2A
SCHEMBL10186774 0.65 KMT2A (0.33) SMN1; SMN2CYP3A4ACHEP2RX3MEN1
SCHEMBL12772067 0.65 CYP3A4 (0.55) SMN1; SMN2CYP3A4ACHEMEN1KMT2A
SCHEMBL12553004 0.64 MEN1 (0.37) SMN1; SMN2CYP3A4ACHEMEN1KMT2A
SCHEMBL29034603 0.63 PDE4B (0.40) FABP3FABP4PRNPPPARGRXFP1
SCHEMBL10187364 0.62 KMT2A (0.33) FABP3FABP4CYP3A4ACHEP2RX3
SCHEMBL9637066 0.62 PTGS2 (0.50) SMN1; SMN2LMNA
SCHEMBL10187365 0.62 KMT2A (0.34) FABP3FABP4SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed