SCHEMBL11744281

SCHEMBL11744281

COc1ccc(OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ RARB P10826 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MMP1 P03956 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 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
SCHEMBL7639338 0.88 RARB (0.38) MMP13MMP2MMP9MMP8RARB
SCHEMBL9008214 0.88 RARB (0.38) MMP13MMP2MMP9MMP8RARB
SCHEMBL11750452 0.86 NR5A1 (0.42) RARBTDP1HTR1AHTR1DHTR1B
SCHEMBL108804 0.86 RARB (0.39) MMP9RARBHPGDTDP1LMNA
SCHEMBL17433581 0.86 RARB (0.39) MMP9RARBHPGDTDP1LMNA
SCHEMBL1100667 0.86 RARB (0.39) MMP9RARBHPGDTDP1LMNA
SCHEMBL2918907 0.84 RARB (0.36) RARBHPGDTDP1HTTMEN1
Hydrochloric Acid SCHEMBL9008281 0.83 RARB (0.38) MMP9RARBHPGDTDP1LMNA
SCHEMBL263013 0.83 RARB (0.39) MMP9RARBHPGDTDP1LMNA
SCHEMBL7621620 0.83 RARB (0.39) MMP9RARBHPGDTDP1LMNA

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-4010138-A PHOSPHITE M & T CHEMICALS INC. (US) 1977-03-01 — — US disclosed
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