SCHEMBL11271402

SCHEMBL11271402

CCCCCCCCOCCCC(N)CN

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
DNM1 Q05193 1/20 0.47
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
USP2 O75604 1/20 0.40
CES2 O00748 1/20 0.38
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28864978 0.92 HTT (0.52) HTTDNM1MEN1THRBKMT2A
SCHEMBL218153 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL8992522 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL1526068 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL1525901 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL452976 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL10908833 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL10908552 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL8992540 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A
SCHEMBL8992550 0.86 HTT (0.46) HTTDNM1MEN1THRBKMT2A

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-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed