SCHEMBL7089077

SCHEMBL7089077

CCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.62
DNM1 Q05193 2/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
FAAH O00519 2/20 0.54
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL7091153 1.00 EPHX2 (0.62) EPHX2DNM1MEN1KMT2ATP53
SCHEMBL11305761 0.94 DNM1 (0.62) EPHX2DNM1MEN1KMT2ATP53
Miramistin Ion SCHEMBL2238282 0.94 DNM1 (0.62) EPHX2DNM1MEN1KMT2ATP53
SCHEMBL10034064 0.94 DNM1 (0.62) EPHX2DNM1MEN1KMT2ATP53
Miramistin Ion SCHEMBL23922700 0.92 MEN1 (0.62) EPHX2DNM1MEN1KMT2ATP53
Miramistin Ion SCHEMBL2236560 0.92 MEN1 (0.63) EPHX2DNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL5481757 0.92 MEN1 (0.63) EPHX2DNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL5164193 0.92 MEN1 (0.63) EPHX2DNM1MEN1KMT2ATP53
Miramistin Ion SCHEMBL17530472 0.91 MEN1 (0.64) EPHX2DNM1MEN1KMT2ATP53
Fluoride Ion SCHEMBL2398107 0.88 HPGD (0.63) EPHX2DNM1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030072935-A1 Porous resin film YUPO CORPORATION (JP) 2003-04-17 US disclosed