SCHEMBL13715309

SCHEMBL13715309

O=Cc1cc(Cc2ccccc2)ccc1/C=C/C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ AKR1B10 O60218 5/20 0.53
▸ AKR1B1 P15121 5/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA4 P22748 2/20 0.53
▸ CA6 P23280 2/20 0.53
▸ CA5A P35218 2/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ CA5B Q9Y2D0 2/20 0.53
▸ HCAR2 Q8TDS4 3/20 0.52
▸ TTR P02766 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX5 P09917 1/20 0.46
▸ PTGER3 P43115 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ MAOA P21397 1/20 0.42

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
SCHEMBL27968997 0.86 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL890443 0.80 LMNA (0.82) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL13715322 0.76 LMNA (0.44) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL16355713 0.75 AKR1B10 (0.62) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27894963 0.75 LMNA (0.58) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27894964 0.75 LMNA (0.58) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11837318 0.75 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11837322 0.75 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL29641956 0.75 LMNA (0.82) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL357565 0.74 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4

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-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 — — US disclosed
Send feedback