SCHEMBL9464121

SCHEMBL9464121

CCCCCCOCCC(N)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.41
CES2 O00748 1/20 0.39
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
OPRM1 P35372 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL10168299 1.00 HTT (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL7790055 0.91 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL775435 0.88 S1PR2 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL6259967 0.88 S1PR2 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL3451340 0.88 S1PR2 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL6262669 0.88 S1PR2 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL28864978 0.86 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL8492828 0.84 NOS3 (0.31) CYP3A4
SCHEMBL17883707 0.84 HTT (0.46) HTTMEN1THRBKMT2AMAPT
SCHEMBL9807769 0.84 HTT (0.46) HTTMEN1THRBKMT2AMAPT

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-5196243-A Coloring ink which disappears by losing pH adjusting effect KAWASHIMA KIYOHARU (JP) 1993-03-23 US claimed