SCHEMBL3675838

SCHEMBL3675838

O=C(Oc1ccccc1)C1C2CC3CC(C2)CC1(C(=O)Oc1ccccc1)C3

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 5/20 0.39
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 2/20 0.37
HSD11B2 P80365 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36
P2RX7 Q99572 3/20 0.35
OPRK1 P41145 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
SCHEMBL28092829 0.75 GAA (0.38) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL1634162 0.75 GAA (0.72) GAAMAPTXBP1KDM4EALDH1A1
SCHEMBL3681450 0.73 ELANE (0.38) GAAMAPTXBP1KDM4EALDH1A1
SCHEMBL14651298 0.73 GAA (0.51) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL14654301 0.71 GAA (0.49) GAAMAPTXBP1KDM4EEPHX2
SCHEMBL692382 0.69 ALDH1A1 (0.38) EPHX2ALDH1A1POLB
SCHEMBL5567915 0.69 GAA (0.58) GAAMAPTXBP1KDM4EALDH1A1
SCHEMBL9547194 0.69 CYP17A1 (0.46) EPHX2HSD11B1TP53P2RX7
SCHEMBL4631471 0.69 ALDH1A1 (0.52) GAAALDH1A1POLBELANE
SCHEMBL5475255 0.68 HSD11B1 (0.44) KDM4EEPHX2FAAHALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781540-B2 Resin composition and molded articles thereof OSAKA GAS CO., LTD. (JP) 2010-08-24 US disclosed
EP-1808461-B1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF TEIJIN CHEMICALS LTD (JP) 2009-03-11 EP disclosed
US-20080085955-A1 Resin Composition And Molded Articles Thereof OSAKA GAS CO., LTD. (JP) 2008-04-10 US disclosed
EP-1808461-A1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF Teijin Chemicals, Ltd. (JP) 2007-07-18 EP disclosed