SCHEMBL2944725

SCHEMBL2944725

CCCCCCCCCCCCCCCCCCOC(=O)C(C)=COCC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
NAAA Q02083 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
FAAH O00519 2/20 0.45
ACHE P22303 6/20 0.44
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL3794445 1.00 TSHR (0.58) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27887656 0.98 TSHR (0.55) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL197371 0.93 ALDH1A1 (0.52) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28175610 0.91 TSHR (0.56) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27244454 0.88 TSHR (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL5371869 0.88 TSHR (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL712630 0.85 ALDH1A1 (0.52) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL712629 0.85 ALDH1A1 (0.52) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL11646015 0.85 HCAR2 (0.39) TSHRHCAR2NPSR1ALDH1A1ATM
SCHEMBL6339687 0.85 TSHR (0.49) TSHRNAAAHCAR2RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732525-B2 Polymers for paper and paperboard coatings CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2010-06-08 US claimed
US-7682530-B2 Crystalline colloidal arrays responsive to an activator PPG INDUSTRIES OHIO, INC. 2010-03-23 US disclosed
EP-2122335-A1 CRYSTALLINE COLLOIDAL ARRAYS RESPONSIVE TO AN ACTIVATOR PPG Industries Ohio, Inc. (US) 2009-11-25 EP disclosed
WO-2008097397-A1 CRYSTALLINE COLLOIDAL ARRAYS RESPONSIVE TO AN ACTIVATOR PPG INDUSTRIES OHIO, INC. (US) 2008-08-14 WO disclosed
US-20080185498-A1 CRYSTALLINE COLLOIDAL ARRAYS RESPONSIVE TO AN ACTIVATOR PPG INDUSTRIES OHIO, INC. 2008-08-07 US disclosed