SCHEMBL8760147

SCHEMBL8760147

COc1ccc(C(CC(C)C)c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.52
LTA4H P09960 1/20 0.52
CALM1 P0DP23 1/20 0.49
APP P05067 2/20 0.47
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
PPARG P37231 1/20 0.44
ESR1 P03372 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CYP17A1 P05093 1/20 0.41
MIF P14174 1/20 0.41
ACP3 P15309 1/20 0.41

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
SCHEMBL11996686 0.91 SLC6A4 (0.50) LTA4HSLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL9392659 0.87 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL278571 0.87 ESR1 (0.54) ESR2SLC6A2SLC6A3MAPTCYP3A4
SCHEMBL8760964 0.83 LTA4H (0.58) LTA4HSLC6A2SLC6A3MAPT
SCHEMBL24610441 0.81 CYP17A1 (0.60) ESR2LTA4HCALM1APPGAA
SCHEMBL8760947 0.81 ESR1 (0.42) ESR2SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL28450063 0.81 ESR1 (0.48) ESR2SLC6A2SLC6A3MAPTKMT2A
SCHEMBL18052470 0.80 KMT2A (0.46) APPGAAMAPTKMT2AMEN1
SCHEMBL9391286 0.79 AOC3 (0.49) MAPTCYP17A1ACP3
SCHEMBL24465176 0.79 ESR2 (0.70) ESR2LTA4HCALM1APPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497465-B1 Record material APPLETON PAPER INC (US) 1997-06-04 EP disclosed
EP-0497465-A1 Record material APPLETON PAPERS INC. (US) 1992-08-05 EP disclosed