SCHEMBL7787523

SCHEMBL7787523

COC(=O)c1c2c(c3cc(OC)c4ccccc4c3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc3c(c1)CC(C)O3)CC2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
EIF4A1 P60842 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 2/20 0.31
RXFP1 Q9HBX9 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDE2A O00408 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7787533 0.88 MEN1 (0.32) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL7782002 0.84 SMN1; SMN2 (0.38) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL5646592 0.82 RAB9A (0.34) RAB9AEIF4A1ALDH1A1CYP3A4TSHR
SCHEMBL7789718 0.79 SIGMAR1 (0.33) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL5648211 0.72
SCHEMBL7782011 0.69 NFKB1 (0.35) RAB9AMEN1KMT2APOLBNFKB1
SCHEMBL8978547 0.68 RAB9A (0.39) RAB9AEIF4A1ALDH1A1CYP3A4CYP2C19
SCHEMBL5646759 0.67 RAB9A (0.38) RAB9AMEN1KMT2AEIF4A1ALDH1A1
SCHEMBL7786718 0.66 KMT2A (0.33) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL8978581 0.65 RAB9A (0.36) RAB9AMEN1KMT2APOLBALDH1A1

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-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP claimed