Oxirane

Oxirane

SCHEMBL8925632

C1CO1.CC(c1ccccc1)c1ccc(O)c(C(C)c2ccccc2)c1C(C)c1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
VKORC1 Q9BQB6 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL288556 0.92 TYR (0.58) TYRTSHRVKORC1MEN1KMT2A
SCHEMBL9687222 0.85 TYR (0.56) TYRTSHRGAAVKORC1MEN1
Sulfuric Acid SCHEMBL1078552 0.84 TYR (0.50) TYRHTTNPSR1GAAVKORC1
Phosphoric Acid SCHEMBL1078532 0.84 TYR (0.50) TYRVKORC1MEN1KMT2AALDH1A1
SCHEMBL9496068 0.82 TYR (0.52) TYRTSHRVKORC1MEN1KMT2A
SCHEMBL9807308 0.80 TYR (0.61) TYRGAAVKORC1MEN1KMT2A
SCHEMBL292194 0.78 TYR (0.53) TYRTSHRHTTGAAVKORC1
SCHEMBL3084333 0.75 TYR (0.59) TYRTSHRHTTNPSR1GAA
SCHEMBL1275540 0.74 TYR (0.44) TYRNPSR1GAAVKORC1MEN1
SCHEMBL25266353 0.73 TYR (0.50) TYRTSHRHTTGAAVKORC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656281-A MIXTURE WITH WETTING AGENT AND DISPERSANT RHONE-POULENC AGROCHIMIE (FR) 1997-08-12 US disclosed