SCHEMBL11323461

SCHEMBL11323461

CC(NC(=O)COc1ccccc1)C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
KDM4E B2RXH2 1/20 0.75
HSD17B10 Q99714 1/20 0.72
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
RECQL P46063 1/20 0.56
PSMB5 P28074 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
ALOX15 P16050 1/20 0.52
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11323476 1.00 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL10765557 0.86 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL10873062 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KDM4EHSD17B10KMT2A
SCHEMBL13116580 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL8549718 0.84 HSD17B10 (0.61) ALDH1A1SMN1; SMN2KDM4EHSD17B10RAB9A
SCHEMBL14694121 0.84 HSD17B10 (0.61) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL8549726 0.84 HSD17B10 (0.61) ALDH1A1SMN1; SMN2KDM4EHSD17B10RAB9A
SCHEMBL5711200 0.84 MBTPS1 (0.67) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL11324889 0.84 MBTPS1 (0.67) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1
SCHEMBL26616368 0.84 CYP1A2 (0.58) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252952-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US disclosed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US disclosed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 US disclosed