SCHEMBL4395975

SCHEMBL4395975

CCCCCOC(N)C(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
CYP2D6 P10635 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
MAPT P10636 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CETP P11597 1/20 0.46
UBE2N P61088 1/20 0.46
USP2 O75604 1/20 0.44
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL11172596 0.94 CYP2D6 (0.42) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL27710760 0.83 USP2 (0.47) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL27547339 0.82 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL113020 0.82 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL344683 0.82 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL93727 0.82 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL1752697 0.82 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL5387416 0.79 DNM1 (0.45) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL20788838 0.78 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN
SCHEMBL20788836 0.78 USP2 (0.50) HTTCYP2D6SPHK1MAPTGMNN

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-20090216117-A1 NOVEL METHOD OF USING TRIACETIN AND AUXILIARY AGENT FOR ULTRASONIC DIAGNOSTIC EXAMINATION SHINSHU UNIVERSITY (JP) 2009-08-27 US disclosed
CN-1373758-A Triazinylaminostilbene deriv. as fluorescent whitening agents CIBA SC HOLDING AG (CH) 2002-10-09 CN disclosed
CN-1235965-A Process for preparation of sulphonated distyryl-biphenyl compounds CIBA SC HOLDING AG (CH) 1999-11-24 CN disclosed
CN-1215046-A Sulfonated diphenyl vinyl-biphenyl compound CIBA GEIGY AG (DE) 1999-04-28 CN disclosed