SCHEMBL11655370

SCHEMBL11655370

COC(=O)Nc1cc(N)c(OC(C)OC)c(S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ MMP12 P39900 4/20 0.31
▸ MMP13 P45452 4/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL11655377 0.80 CTDSP1 (0.38) CASRCTDSP1SMN1; SMN2PKMLMNA
SCHEMBL8887568 0.75 ENPP2 (0.45) CASRSMN1; SMN2PKMLMNAGAA
SCHEMBL5677351 0.65 ENPP2 (0.49) PKMTSHRLMNAGAAENPP2
SCHEMBL11656945 0.65 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBGAAGFER
SCHEMBL10582790 0.64 CTDSP1 (0.40) CTDSP1SMN1; SMN2PKMTSHRLMNA
SCHEMBL10394559 0.64 ENPP2 (0.48) CASRPKMLMNAGAAENPP2
SCHEMBL10482234 0.62 ALDH1A1 (0.42) CTDSP1PKMTSHRPOLBGAA
SCHEMBL8591780 0.62 SMN1; SMN2 (0.49) CTDSP1SMN1; SMN2TSHRLMNAPOLB
SCHEMBL8590541 0.62 CTDSP1 (0.59) CTDSP1SMN1; SMN2TSHRLMNAPOLB
SCHEMBL10797661 0.62 CA1 (0.53) SMN1; SMN2TSHRLMNAGAAKMT2A

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-4128544-A DYES FOR NATURAL OR REGENERATED CELLULOSE SANDOZ LTD. (CH) 1978-12-05 — — US disclosed
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