SCHEMBL8028041

SCHEMBL8028041

CC1CCC(C(C)C)[C@@H](Oc2cn(C(C)c3ccccc3)c(=O)o2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.45
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
NTSR1 P30989 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
KCNA5 P22460 1/20 0.38
P2RX4 Q99571 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7663364 1.00 CA1 (0.47) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL7661158 1.00 CA1 (0.47) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL8027376 1.00 CA1 (0.47) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL6759640 1.00 CA1 (0.47) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL6760790 0.92 CA1 (0.47) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL6762006 0.84 CA1 (0.33) CA1CA2ALDH1A1LMNAHPGD
SCHEMBL6760106 0.80 CYP1A2 (0.47) CA1CA2ALDH1A1LMNANFE2L2
Phosphine SCHEMBL27943782 0.72 ALDH1A1 (0.57) CA1CA2ALDH1A1LMNANFE2L2
SCHEMBL4676274 0.72 FAAH (0.51) ALDH1A1MEN1KMT2AHPGDCYP2D6
SCHEMBL4679478 0.72 FAAH (0.51) ALDH1A1MEN1KMT2AHPGDCYP2D6

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