SCHEMBL7669707

SCHEMBL7669707

CC1CCC(C(C)C)C(OC(=O)C2C(CCc3ccccc3)OC(=O)N2C(C)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 7/20 0.41
MAPK1 P28482 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MITF O75030 4/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.41
CYP19A1 P11511 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
NTSR1 P30989 2/20 0.39
CYP1A2 P05177 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
SCHEMBL7670466 0.86 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL7672505 0.84 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL7672128 0.84 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL7665880 0.84 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL7674117 0.80 KCNA5 (0.40) ALDH1A1KMT2AMEN1TSHR
SCHEMBL7688435 0.79 FKBP1A (0.30)
SCHEMBL7672028 0.79 FKBP1A (0.30)
SCHEMBL7672624 0.77 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL7668412 0.77 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MAPK1KMT2A
SCHEMBL28137029 0.72 ALDH1A1 (0.55) ALDH1A1HPGDNPSR1MAPK1KMT2A

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-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed