SCHEMBL8204969

SCHEMBL8204969

COC(=O)c1ccccc1-c1cc(OC)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
AKR1C3 P42330 5/20 0.54
AKR1C2 P52895 5/20 0.54
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 1/20 0.50
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G2A P14555 1/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL2949879 0.92 KDM4E (0.57) RAB9AAKR1C3AKR1C2CYP1A2CYP2C19
SCHEMBL7611832 0.86 PPARG (0.52) RAB9AMEN1POLBKMT2AKDM4E
SCHEMBL2949877 0.86 KDM4E (0.64) RAB9AAKR1C3AKR1C2SLC6A3SLC6A4
SCHEMBL6437163 0.86 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2MEN1POLB
SCHEMBL7174910 0.84 PTPN11 (0.67) SLC6A3SLC6A4SLC6A2CYP1A2CYP2C19
SCHEMBL6775841 0.83 KDM4E (0.62) AKR1C3AKR1C2SLC6A3SLC6A4SLC6A2
SCHEMBL31449995 0.82 SLC6A4 (0.50) RAB9AAKR1C3AKR1C2SLC6A3SLC6A4
SCHEMBL5149285 0.82 HDAC4 (0.60) RAB9AAKR1C3AKR1C2MEN1POLB
SCHEMBL10442500 0.82 HPGD (0.56) RAB9AAKR1C3AKR1C2SLC6A3SLC6A2
SCHEMBL2510101 0.81 AKR1C3 (0.51) RAB9AAKR1C3AKR1C2SLC6A3SLC6A2

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-0985696-A1 STABILIZED AROMATIC POLYCARBONATE TEIJIN LIMITED (JP) 2000-03-15 EP disclosed