SCHEMBL8016109

SCHEMBL8016109

CC1CCC(C(C)C)C(OC(=O)CNCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.58
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 5/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 5/20 0.52
LMNA P02545 3/20 0.52
MITF O75030 3/20 0.52
HTT P42858 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
P2RX4 Q99571 1/20 0.49
SERPINE1 P05121 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
SCHEMBL4316032 0.85 CYP19A1 (0.78) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL8055167 0.85 CYP19A1 (0.78) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL8055165 0.85 CYP19A1 (0.78) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL11157463 0.85 CYP19A1 (0.57) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL2574092 0.85 ALDH1A1 (0.55) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL12166539 0.85 ALDH1A1 (0.55) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL12166956 0.85 ALDH1A1 (0.55) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL12166714 0.85 ALDH1A1 (0.55) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL21350201 0.83 CYP19A1 (0.61) CYP19A1ALDH1A1HPGDNPSR1MAPT
SCHEMBL12858216 0.83 CYP19A1 (0.61) CYP19A1ALDH1A1HPGDNPSR1MAPT

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
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed