SCHEMBL8026255

SCHEMBL8026255

CC1CCC(C(C)C)C(OC(=O)CN[C@H](C)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
NTSR1 P30989 2/20 0.61
CYP19A1 P11511 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 6/20 0.51
LMNA P02545 4/20 0.51
MITF O75030 4/20 0.51
HTT P42858 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
P2RX4 Q99571 1/20 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
SCHEMBL8031666 1.00 NPSR1 (0.61) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL8016079 0.91 CA1 (0.60) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL11157463 0.84 CYP19A1 (0.57) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL8016109 0.83 CYP19A1 (0.58) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL21349972 0.82 CYP19A1 (0.58) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL11920730 0.82 CA1 (0.58) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL29281346 0.82 CYP19A1 (0.55) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL23171685 0.81 EPHX1 (0.58) NPSR1KMT2AMEN1CYP19A1ALDH1A1
SCHEMBL19020467 0.81 CYP19A1 (0.54) NPSR1KMT2AMEN1NTSR1CYP19A1
SCHEMBL19020175 0.81 ALDH1A1 (0.57) NPSR1KMT2AMEN1NTSR1CYP19A1

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