SCHEMBL16788930

SCHEMBL16788930

CCCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 4/20 0.56
ALDH1A1 P00352 6/20 0.48
PSMD14 O00487 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MMP2 P08253 1/20 0.48
MC4R P32245 1/20 0.48
RAD52 P43351 1/20 0.48
HPGD P15428 2/20 0.44
BDKRB2 P30411 1/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.42
ELANE P08246 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
Iodide SCHEMBL20919878 0.98 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL11412610 0.93 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16731588 0.92 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL320399 0.91 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL14521789 0.91 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL29669478 0.89 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231434 0.89 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL19971582 0.89 DNM1 (0.57) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL485968 0.89 ALDH1A1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231675 0.87 ALDH1A1 (0.48) DNM1SMN1; SMN2MEN1KMT2ATP53

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-9458337-B2 Curable resin composition, water-soluble ink composition, ink set, and image-forming method FUJIFILM CORPORATION (JP) 2016-10-04 US disclosed
US-20150159032-A1 CURABLE RESIN COMPOSITION, WATER-SOLUBLE INK COMPOSITION, INK SET, AND IMAGE-FORMING METHOD FUJIFILM CORPORATION (JP) 2015-06-11 US disclosed