SCHEMBL6907119

SCHEMBL6907119

CCC(C)c1cc(O)cc(=O)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
CYP3A4 P08684 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 2/20 0.48
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HSD17B3 P37058 3/20 0.38
ALDH1A1 P00352 7/20 0.36
GAA P10253 5/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CASP7 P55210 3/20 0.36
CASP1 P29466 2/20 0.36

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
SCHEMBL2573803 0.79 CYP3A4 (0.56) RXRACYP3A4MEN1KMT2AGLA
SCHEMBL16901794 0.76 CYP3A4 (0.41) RXRACYP3A4MEN1KMT2AGLA
SCHEMBL8116892 0.75 CYP2C9 (0.49) CYP3A4MEN1KMT2AGLAHDAC4
SCHEMBL6747789 0.73 CYP3A4 (0.48) CYP3A4MEN1KMT2AGLAHSD17B3
SCHEMBL25964843 0.73 CYP3A4 (0.44) CYP3A4MEN1KMT2AGLAHSD17B3
SCHEMBL22149253 0.73 MEN1 (0.44) RXRACYP3A4MEN1KMT2AGLA
SCHEMBL22149723 0.73 MEN1 (0.44) RXRACYP3A4MEN1KMT2AGLA
SCHEMBL22149728 0.73 CYP3A4 (0.44) CYP3A4MEN1KMT2AGLAHSD17B3
SCHEMBL8886719 0.71 CYP3A4 (0.50) CYP3A4MEN1KMT2AGLAHSD17B3
SCHEMBL6177937 0.71 MEN1 (0.41) CYP3A4MEN1KMT2AGLAHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018552-A1 USE OF COMPOSITIONS CONTAINING 4-HYDROXY-2-PYRONES FOR STABILISING ORGANIC PLASTICS CONTAINING HALOGEN REAGENS DEUTSCHLAND GMBH (DE) 2004-03-04 WO disclosed
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 US disclosed
CN-1236357-A Aminomethylene derivatives and ultraviolet absorber comprising the same CHEMIPRO KASEI KAISHA LTD (JP) 1999-11-24 CN disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 EP disclosed