SCHEMBL5710097

SCHEMBL5710097

CCC(=O)OCCCCCl

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.65
HTT P42858 1/20 0.51
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 2/20 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
SCHEMBL28690072 0.98 NAAA (0.69) NAAAHTTRAD52NPSR1FAAH
SCHEMBL10353796 0.93
SCHEMBL50185 0.88 NAAA (0.81) NAAAHTTRAD52NPSR1FAAH
SCHEMBL3993048 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL14472850 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL12956536 0.85 NAAA (0.86) NAAAHTTRAD52NPSR1FAAH
SCHEMBL2859241 0.83
SCHEMBL2600809 0.83 NAAA (0.73) NAAAHTTRAD52NPSR1FAAH
SCHEMBL28397841 0.83 NAAA (0.50) NAAAHTTRAD52NPSR1FAAH
Ethylene Glycol SCHEMBL50184 0.81 NAAA (0.71) NAAAHTTRAD52NPSR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442908-A Intermediate and method for preparing naproxcinod TIANJIN INST PHARM RESEARCH 2012-05-09 CN disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
EP-1295866-B1 4-membered ring compound and optical phase retardation plate using the same FUJI PHOTO FILM CO LTD (JP) 2006-11-02 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
US-6811833-B2 BIREFRINGEMENT FILM FUJI PHOTO FILM CO., LTD. (JP) 2004-11-02 US disclosed
US-20030102458-A1 4-Membered ring compound and optical phase optical retardation plate using the same FUJIFILM CORPORATION (JP) 2003-06-05 US disclosed
EP-1295866-A1 4-membered ring compound and optical phase retardation plate using the same FUJI PHOTO FILM CO., LTD. (JP) 2003-03-26 EP disclosed
US-6114286-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
EP-0947516-A1 N-benzyl substituted, heterocyclic ring-fused pyrimidinone derivatives, their preparation and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-06 EP disclosed