SCHEMBL12794818

SCHEMBL12794818

NCCCOCC(O)CNCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.42
CYP3A4 P08684 2/20 0.37
ANPEP P15144 1/20 0.36
ADRB2 P07550 2/20 0.36
HTR1A P08908 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASR P41180 1/20 0.34
MEN1 O00255 2/20 0.33
CA12 O43570 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11232438 0.87 HTT (0.54) KDM4EHTTCYP3A4KMT2AALDH1A1
SCHEMBL11231807 0.87 KDM4E (0.52) KDM4EHTTCYP3A4ANPEPADRB2
SCHEMBL11023778 0.86 HTT (0.62) KDM4EHTTCYP3A4USP2CYP1A2
SCHEMBL11230752 0.84 HTT (0.65) KDM4EHTTCYP3A4USP2CYP1A2
SCHEMBL11231700 0.84 HTT (0.65) KDM4EHTTCYP3A4USP2CYP1A2
SCHEMBL12761111 0.84 HTT (0.51) KDM4EHTTCYP3A4KMT2AALDH1A1
SCHEMBL9927953 0.84 KDM4E (0.38) KDM4EHTTCYP3A4ANPEPADRB2
SCHEMBL11238943 0.84 HTT (0.65) KDM4EHTTCYP3A4USP2CYP1A2
SCHEMBL11223752 0.84 HTT (0.65) KDM4EHTTCYP3A4USP2CYP1A2
SCHEMBL11239030 0.84 HTT (0.65) KDM4EHTTCYP3A4USP2CYP1A2

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-7905927-B2 Method for lightening and/or coloring human keratin fibers using a composition comprising an aminotrialkoxy silane or aminotrialkenyloxy silane compound and device L'OREAL, SA (FR) 2011-03-15 US disclosed