SCHEMBL5666240

SCHEMBL5666240

CC(C)c1cccc(-c2ccc(CCO)cc2-n2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
MC4R P32245 9/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDK2 Q15119 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAT2A P31153 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KCNJ6 P48051 1/20 0.30

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
SCHEMBL5666709 0.89 PTPN5 (0.35) PTPN5MC4R
SCHEMBL30776957 0.83 PTPN5 (0.35) PTPN5HSP90AA1HSP90AB1MAT2A
SCHEMBL29175703 0.83 PTPN5 (0.35) PTPN5HSP90AA1HSP90AB1MAT2A
SCHEMBL13700441 0.82 KDM4E (0.33) MC4RKDM4EALDH1A1HPGDPOLB
SCHEMBL2638145 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL5666244 0.76 GCGR (0.35) PTPN5KDM4EALDH1A1POLBMAPT
SCHEMBL29175702 0.75 HSP90AA1 (0.35) PTPN5ALDH1A1POLBMAPTHSP90AA1
SCHEMBL13699378 0.75 PKM (0.36) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL2637886 0.73 ALDH1A1 (0.35) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL28595118 0.73 PTPN5 (0.36) PTPN5KDM4EHPGDPOLBMAPK1

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
EP-1175467-B1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, RED-SHIFTED, PHOTOSTABLE BENZOTRIAZOLE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM CIBA SC HOLDING AG (CH) 2006-06-14 EP claimed