SCHEMBL9744614

SCHEMBL9744614

NCC(=O)CCCCCCC[CH]C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
LMNA P02545 2/20 0.44
AKR1B10 O60218 2/20 0.42
AKR1B1 P15121 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL14675315 0.84 HCAR2 (0.53) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL9346153 0.80 CETP (0.52) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL8897560 0.80 CETP (0.52) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL8895871 0.80 CETP (0.52) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL3094482 0.79 HCAR2 (0.57) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL6971651 0.79 HCAR2 (0.53) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL6966475 0.77 HCAR2 (0.54) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL9001891 0.76 HCAR2 (0.61) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL7297902 0.74 ALDH1A1 (0.47) HCAR2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL1177227 0.73 ALDH1A1 (0.58) HCAR2LMNAALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514460-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1992-11-25 EP disclosed
WO-1991012267-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1991-08-22 WO disclosed