SCHEMBL5796025

SCHEMBL5796025

CCOC(OCC)c1ccc(C(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
ACHE P22303 8/20 0.51
BCHE P06276 6/20 0.51
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
UGT2B7 P16662 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9879225 0.86 PTGS2 (0.56) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL6394314 0.86 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL10535136 0.82 PTGS2 (0.50) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL28671158 0.81 LMNA (0.54) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL2235652 0.80 PTGS2 (0.46) PTGS2ACHEBCHEEPHX1LMNA
SCHEMBL27830263 0.80 MEN1 (0.41) PTGS2ACHEBCHEUGT2B7LMNA
SCHEMBL5388511 0.80 ACHE (0.53) PTGS2ACHEBCHEALDH1A1LMNA
SCHEMBL3909367 0.78 PTGS2 (0.47) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL508188 0.77 PTGS2 (0.50) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL3906858 0.77 ACHE (0.50) PTGS2ACHEBCHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
CN-1026234-C Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1994-10-19 CN disclosed
EP-0332332-B1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1993-03-31 EP disclosed
US-5130379-A Anticholesterol agents and antidiabetic agents PFIZER INC. (US) 1992-07-14 US disclosed
US-5036079-A Anticholesterol PFIZER INC. (US) 1991-07-30 US disclosed
CN-1036572-A Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1989-10-25 CN disclosed
EP-0332332-A1 Hypoglycemic thiazolidinedione derivatives PFIZER INC. (US) 1989-09-13 EP disclosed