SCHEMBL28084277

SCHEMBL28084277

Cc1cc(C)c(C(=O)Oc2c(C)c(C)cc(C)c2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 2/20 0.39
SLC37A4 O43826 1/20 0.39
ELANE P08246 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G2A P14555 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGES O14684 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL248738 0.74 CYP3A4 (0.41) CYP3A4KMT2AMAPTMEN1HPGD
SCHEMBL125935 0.74 CYP3A4 (0.41) CYP3A4KMT2AMAPTMEN1HPGD
SCHEMBL2882316 0.73 SERPINE1 (0.46) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL28517443 0.73 TAS1R3 (0.32) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL10938410 0.73 POLB (0.49) POLBKMT2AMAPTHPGDTDP1
SCHEMBL1036031 0.73 CYP3A4 (0.59) CYP3A4POLBMAPTHPGDTDP1
SCHEMBL29871279 0.73 CYP3A4 (0.39) CYP3A4KMT2AMAPTMEN1HPGD
Phosphine SCHEMBL18982856 0.73 CYP3A4 (0.39) CYP3A4KMT2AMAPTMEN1HPGD
SCHEMBL8722031 0.73 CYP3A4 (0.39) CYP3A4KMT2AMAPTMEN1HPGD
SCHEMBL9282972 0.72 MAPT (0.49) CYP3A4POLBKMT2AMAPTMEN1

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
CN-105907138-A Hard Coating Composition and Hard Coating Film Using the Same 东友精细化工有限公司 2016-08-31 CN disclosed