SCHEMBL8796753

SCHEMBL8796753

CCOC(=O)Nc1cccc(CCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
MAPK1 P28482 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
F2R P25116 1/20 0.51
PARP1 P09874 1/20 0.51
RECQL P46063 1/20 0.50
MTNR1B P49286 1/20 0.49
MGLL Q99685 2/20 0.48

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
SCHEMBL6212581 0.92 MAPK1 (0.61) CYP4F2CYP4A11MAPK1LMNAMAPT
SCHEMBL8867339 0.89 MAPK1 (0.58) CYP4F2CYP4A11MAPK1LMNAMAPT
SCHEMBL8867305 0.86 MAPT (0.61) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL4197894 0.85 MAPK1 (0.64) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL6188909 0.85 MAPT (0.58) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL12569392 0.84 MAPK1 (0.59) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL6193765 0.84 MAPK1 (0.53) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL21349100 0.84 MAPK1 (0.66) MAPK1LMNAMAPTHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3051482 0.83 MAPK1 (0.58) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL6404645 0.82 NPC1 (0.54) CYP4F2CYP4A11LMNAHSD17B10ALDH1A1

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
EP-0759913-A1 AROMATIC AMINE SUBSTITUTED BRIDGED NITROGEN AND SULFUR DONOR ATOM LIGANDS FOR IMAGING NEORX CORPORATION (US) 1997-03-05 EP disclosed
WO-1995032192-A1 AROMATIC AMINE SUBSTITUTED BRIDGED NITROGEN AND SULFUR DONOR ATOM LIGANDS FOR IMAGING NEORX CORPORATION (US) 1995-11-30 WO disclosed