SCHEMBL3395180

SCHEMBL3395180

CCCCCCCCCCCC[N+](CCC#N)(CCC#N)CCC#N

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.62
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SLC22A2 O15244 1/20 0.57
DNM1 Q05193 5/20 0.54
APAF1 O14727 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL3402684 1.00 SLC22A1 (0.62) SLC22A1TSHRALDH1A1TP53CYP3A4
Bromide SCHEMBL10492565 0.92 DNM1 (0.61) SLC22A1TSHRALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL10492698 0.92 DNM1 (0.58) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL3629654 0.86 TSHR (0.59) SLC22A1TSHRALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL28129614 0.84 TSHR (0.56) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL2935402 0.83 TSHR (0.62) SLC22A1TSHRALDH1A1TP53CYP3A4
Water SCHEMBL590034 0.82 SLC22A1 (0.93) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL7051423 0.81 SLC22A1 (0.62) SLC22A1TSHRALDH1A1TP53CYP3A4
Tetrahexylammonium SCHEMBL28553561 0.80 SLC22A1 (0.68) SLC22A1TSHRALDH1A1TP53CYP3A4
Tetrahexylammonium SCHEMBL10909488 0.80 SLC22A1 (0.68) SLC22A1TSHRALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084530-B2 Sealing agent for optical semiconductor element, and optical semiconductor element SEKISUI CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20100171414-A1 SEALING AGENT FOR OPTICAL SEMICONDUCTOR ELEMENT, AND OPTICAL SEMICONDUCTOR ELEMENT SEKISUI CHEMICAL CO., LTD. (JP) 2010-07-08 US disclosed
EP-2159242-A1 SEALING AGENT FOR OPTICAL SEMICONDUCTOR ELEMENT, AND OPTICAL SEMICONDUCTOR ELEMENT Sekisui Chemical Co., Ltd. (JP) 2010-03-03 EP disclosed