SCHEMBL8616599

SCHEMBL8616599

CCCCCCCCCCCCN(CC(O)CCl)CC(O)CN(CCCCCCCCCCCC)CC(O)CN(CCCCCCCCC)CC(O)CCl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.37
KCNH2 Q12809 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
GGPS1 O95749 3/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8436179 1.00 DNM1 (0.37) DNM1KCNH2KDM4EMAPK1TDP1
SCHEMBL8437206 0.98 DNM1 (0.38) DNM1KCNH2KDM4EMAPK1TDP1
SCHEMBL8437640 0.90 KDM4E (0.42) KCNH2KDM4EMAPK1TDP1PLA2G1B
SCHEMBL7758885 0.82 DNM1 (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL7759981 0.82 DNM1 (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL7754945 0.82 DNM1 (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL7758914 0.82 DNM1 (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL7759974 0.82 DNM1 (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL8436295 0.81 KDM4E (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B
SCHEMBL8436177 0.81 KDM4E (0.41) DNM1KDM4EMAPK1TDP1PLA2G1B

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-5801270-A Amine derivative and detergent composition containing the same KAO CORPORATION (JP) 1998-09-01 US disclosed