SCHEMBL3968291

SCHEMBL3968291

COC(=O)CC(c1ccc(O)c(C(C)(C)C)c1)n1nc2ccc(Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
TNF P01375 6/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 2/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR2 Q13324 1/20 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
SCHEMBL3969785 0.89 TNF (0.41) TNFMAPTRAB9APDE4APDE4B
SCHEMBL453355 0.85 CNR1 (0.37) NR1H4ALDH1A1CNR1KMT2A
SCHEMBL5313580 0.83 ALDH1A1 (0.44) NR1H4ALDH1A1CNR1LMNAMAPK1
SCHEMBL19379230 0.79 NR1H4 (0.38) NR1H4HTTALDH1A1LMNAKCNH2
SCHEMBL2836826 0.76 HSP90AA1 (0.38) TNFMAPTPDE4APDE4BPDE4C
SCHEMBL416327 0.74 NR1H4 (0.37) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL16210609 0.74 NPSR1 (0.39) MAPTRAB9AALDH1A1KMT2ALMNA
SCHEMBL7689789 0.73 HDAC8 (0.39) NR1H4ALDH1A1MAPK1
SCHEMBL26324469 0.72 ALDH1A1 (0.46) NR1H4MAPTRAB9AHTTALDH1A1
SCHEMBL21629685 0.71 ALDH1A1 (0.41) NR1H4TNFMAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814939-B1 ULTRAVIOLET LIGHT (UV) ABSORBING COMPOUNDS AND COMPOSITIONS CONTAINING UV ABSORBING COMPOUNDS MILLIKEN & CO (US) 2017-10-04 EP disclosed
EP-1814939-A4 ULTRAVIOLET LIGHT (UV) ABSORBING COMPOUNDS AND COMPOSITIONS CONTAINING UV ABSORBING COMPOUNDS MILLIKEN & CO (US) 2009-07-29 EP disclosed
US-7381762-B2 Ultraviolet light (UV) absorbing compounds and compositions containing UV absorbing compounds MILLIKEN & COMPANY (US) 2008-06-03 US disclosed
EP-1814939-A2 ULTRAVIOLET LIGHT (UV) ABSORBING COMPOUNDS AND COMPOSITIONS CONTAINING UV ABSORBING COMPOUNDS Milliken&Company (US) 2007-08-08 EP disclosed
WO-2006023687-A2 ULTRAVIOLET LIGHT (UV) ABSORBING COMPOUNDS AND COMPOSITIONS CONTAINING UV ABSORBING COMPOUNDS MILLIKEN & COMPANY (US) 2006-03-02 WO disclosed
US-20060041038-A1 Ultraviolet light (UV) absorbing compounds and compositions containing UV absorbing compounds MILLIKEN & COMPANY 2006-02-23 US disclosed