SCHEMBL13317295

SCHEMBL13317295

CC(=O)OCCOc1cc(C)cc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ CHRM3 P20309 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PGR P06401 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ CHRNA10 Q9GZZ6 1/20 0.45
▸ CHRNA9 Q9UGM1 1/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL8895204 0.82 L3MBTL1 (0.62) SMN1; SMN2GAARAB9AHPGDTDP1
SCHEMBL14036917 0.82 TDP1 (0.49) SMN1; SMN2TP53ALOX15HPGDNPC1
SCHEMBL5929477 0.81 TP53 (0.52) SMN1; SMN2RAB9ATP53ALOX15HPGD
SCHEMBL2697602 0.81 L3MBTL1 (0.59) SMN1; SMN2GAAHPGDNPC1L3MBTL1
SCHEMBL10030181 0.79 L3MBTL1 (0.55) CHRM5CHRM1CHRM3SMN1; SMN2PGR
SCHEMBL27653318 0.78 TNKS2 (0.44) CHRM5CHRM1CHRM3SMN1; SMN2PGR
SCHEMBL27338662 0.78 NPC1 (0.38) SMN1; SMN2RAB9ATP53HPGDNPC1
SCHEMBL10030189 0.77 MTNR1A (0.53) SMN1; SMN2TDP1L3MBTL1PDE3BPDE3A
SCHEMBL28492444 0.77 L3MBTL1 (0.54) SMN1; SMN2GAANPC1L3MBTL1ALDH1A1
SCHEMBL3820742 0.76 TDP1 (0.50) SMN1; SMN2GAARAB9ATP53HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 — — US disclosed
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 — — US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 — — US disclosed
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