SCHEMBL3739645

SCHEMBL3739645

Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C(=O)O)c4)cc3)cc2)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ KMO O15229 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL15240684 1.00 HSD17B1 (0.50) HSD17B1HSD17B2POLBMAPTCTDSP1
SCHEMBL7899657 0.92 HSD17B1 (0.55) HSD17B1HSD17B2POLBMAPTCTDSP1
SCHEMBL21760727 0.89 KMO (0.56) POLBKMOHPGDLTB4R2LMNA
SCHEMBL13027899 0.89 KMO (0.56) POLBKMOHPGDLTB4R2LMNA
SCHEMBL21760723 0.89 KMO (0.56) POLBKMOHPGDLTB4R2LMNA
SCHEMBL9853340 0.84 DHODH (0.45) HSD17B1HSD17B2POLBHPGDTDP1
SCHEMBL21922635 0.84 HSD17B1 (0.45) HSD17B1HSD17B2POLBMAPTCTDSP1
SCHEMBL2929456 0.84 HSD17B1 (0.45) HSD17B1HSD17B2POLBMAPTCTDSP1
SCHEMBL5143671 0.84 HSD17B1 (0.45) HSD17B1HSD17B2POLBMAPTCTDSP1
SCHEMBL1107803 0.84 HSD17B1 (0.45) HSD17B1HSD17B2POLBMAPTCTDSP1

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-7833684-B2 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION (US) 2010-11-16 — — US claimed
US-20090123860-A1 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION 2009-05-14 — — US claimed
US-7833684-B2 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION (US) 2010-11-16 — — US disclosed
US-20090123860-A1 Triaryl amines such as N,N'-diphenyl-N,N'-bis(3-hydroxyphenyl) [1,1'-biphenyl]-4, 4'-diamineas charge control agents imparting excellent triboelectric charging characteristics to a toner particle comprising a latex, a pigment, and an optional wax; emulsion aggregation toners; xerography; resolution XEROX CORPORATION 2009-05-14 — — US disclosed
US-6284365-B1 FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE FUJI XEROX CO., LTD. (JP) 2001-09-04 — — US disclosed
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