SCHEMBL8906132

SCHEMBL8906132

O=C1OCC2CCC(CC2)COC(=O)c2ccc3cc1ccc3c2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
SLC6A3 Q01959 4/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 2/20 0.34
NOTUM Q6P988 1/20 0.33
PGR P06401 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGER3 P43115 1/20 0.32
GSK3B P49841 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL45095 0.86 KMT2A (0.30)
SCHEMBL4649342 0.84 NPC1 (0.36) GABRA1GABRG2GABRB3NOTUM
SCHEMBL9292940 0.81 GSTP1 (0.36) GSTP1GABRA1GABRG2GABRB3SLC6A3
SCHEMBL36556 0.77 GSTP1 (0.45) GSTP1TSHRNOTUMPGRHDAC4
SCHEMBL1758350 0.77 GSTP1 (0.45) GSTP1TSHRNOTUMPGRHDAC4
Ethylene Glycol SCHEMBL6034298 0.77 POLB (0.30)
SCHEMBL533284 0.77 GSTP1 (0.39) GSTP1GABRA1GABRG2GABRB3NOTUM
SCHEMBL28085447 0.74 LMNA (0.32)
SCHEMBL850248 0.74
SCHEMBL28796146 0.74 NPC1 (0.30) NOTUM

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
US-4876378-A Recovery of dialkyl naphthalene-2,6-dicarboxylates from naphthalene-2,6-dicarboxylic acid-containing polyesters EASTMAN KODAK COMPANY (US) 1989-10-24 US claimed
US-5607757-A Paper machine fabric EASTMAN CHEMICAL COMPANY (US) 1997-03-04 US disclosed