SCHEMBL9152252

SCHEMBL9152252

COC(=O)CCCCCOP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL27052933 0.92 EPHX2 (0.41) LMNAL3MBTL1
SCHEMBL2231232 0.88 DGKA (0.35) TSHRALDH1A1KMT2A
SCHEMBL5597403 0.87 ALDH1A1 (0.39) TSHRLMNAALDH1A1PPARGKMT2A
SCHEMBL16328978 0.87
SCHEMBL1501122 0.87 ALDH1A1 (0.39) TSHRLMNAALDH1A1PPARGKMT2A
SCHEMBL13073086 0.86 MCL1 (0.32)
SCHEMBL13675273 0.85
SCHEMBL14570439 0.84 DGKA (0.40) TSHRLMNAALDH1A1
SCHEMBL12730964 0.84
SCHEMBL23735618 0.83 GAA (0.42)

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-5391723-A Oligonucleotide conjugates NEORX CORPORATION (US) 1995-02-21 US disclosed