SCHEMBL7933898

SCHEMBL7933898

C=C(C)C(N)=O.C=CCOC=C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL11216980 0.83 TDP1 (0.55) TDP1MAPTCACNA1BAPBA1ALDH1A1
Acetic Acid SCHEMBL10803212 0.82 TSHR (0.35) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL28263146 0.82 TDP1 (0.48) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL28247273 0.81 TDP1 (0.52) TDP1ALDH1A1HSD17B10TSHR
Acetic Acid SCHEMBL28146453 0.80 TSHR (0.34) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL875124 0.79 TDP1 (0.50) TDP1MAPTCACNA1BAPBA1ALDH1A1
Bicarbonate SCHEMBL4344138 0.77 CYP3A4 (0.35) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL27323784 0.77
Methylamine SCHEMBL2425514 0.77
Urethane SCHEMBL8151945 0.76 ALOX15 (0.58) TDP1MAPTCACNA1BAPBA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242512-B1 DRYING WATER INSOLUBLE POLYMER, WATER SOLUBLE PROTECTIVE COLLOID, AND ANTIBLOCKING AGENT; PLASTER, PAINTS, ADHESIVES WACKER CHEMIE GMBH (DE) 2001-06-05 US claimed
CN-103930831-B Toner manufacturing method, toner, and image forming method 株式会社理光 2017-08-04 CN disclosed