SCHEMBL3675855

SCHEMBL3675855

C=C(CC)C(=O)ONCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL27492429 0.81 CYP2D6 (0.44) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL29163850 0.79 ALDH1A1 (0.32)
SCHEMBL2551378 0.73 ACHE (0.37) TSHREPHX1
SCHEMBL9058758 0.73 KMT2A (0.33) TSHR
SCHEMBL515574 0.73
SCHEMBL5530357 0.72 CYP2D6 (0.37) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL6035992 0.70 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL7004223 0.70
SCHEMBL1473219 0.69 TSHR (0.63) CYP2D6CYP2C19TSHR
SCHEMBL21681130 0.69 ALDH1A1 (0.31)

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
JP-4541702-B2 2010-09-08 JP claimed
US-20060160950-A1 Pigment compositions with modified ATRP copolymer dispersants AUSCHRA CLEMENS 2006-07-20 US claimed
US-20050004317-A1 Pigment compositions with modified atrp copolymer dispersants CIBA SPECIALTY CHEMICALS CORP. 2005-01-06 US claimed
EP-1465935-A1 PIGMENT COMPOSITIONS WITH MODIFIED ATRP COPOLYMER DISPERSANTS Ciba SC Holding AG (CH) 2004-10-13 EP claimed
WO-2003046029-A1 PIGMENT COMPOSITIONS WITH MODIFIED ATRP COPOLYMER DISPERSANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-05 WO claimed