SCHEMBL4128712

SCHEMBL4128712

C=C(CCCN)C(=O)OCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
THRB P10828 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL11025740 0.88 CYP1A2 (0.38) CYP1A2THRBTSHRLMNABLM
SCHEMBL7472232 0.88 CAMK2A (0.33) CYP1A2THRBTSHRALDH1A1MAPT
SCHEMBL4351908 0.86 TSHR (0.46) CYP1A2THRBTSHRNPSR1ALDH1A1
SCHEMBL2048244 0.86 CYP1A2 (0.46) CYP1A2THRBTSHRLMNABLM
SCHEMBL7358817 0.86 CYP2D6 (0.41) CYP1A2THRBTSHRLMNABLM
SCHEMBL1017380 0.85 TSHR (0.49) THRBTSHRKMT2AHDAC11ALDH1A1
SCHEMBL4453593 0.85 TSHR (0.49) CYP1A2THRBTSHRLMNANPSR1
SCHEMBL6811021 0.83 TSHR (0.51) THRBTSHRKMT2AHDAC11ALDH1A1
SCHEMBL2518762 0.83 TSHR (0.37) CYP1A2THRBTSHRLMNABLM
SCHEMBL22028060 0.82 PTPN1 (0.35) CYP1A2THRBTSHRBLMALDH1A1

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-8299190-B2 Colored polymer particles, method for producing the same, and toner and developer using the same NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-10-30 US disclosed
US-20090162770-A1 COLORED POLYMER PARTICLES, METHOD FOR PRODUCING THE SAME, AND TONER AND DEVELOPER USING THE SAME RICOH COMPANY, LTD. (JP) 2009-06-25 US disclosed