SCHEMBL9845302

SCHEMBL9845302

O=C1OCC(CO)N1c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
NOTUM Q6P988 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SHMT2 P34897 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STING1 Q86WV6 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
AKR1C3 P42330 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL8115890 0.82 NOTUM (0.41) NOTUMIDH1
SCHEMBL2218750 0.82 NOTUM (0.41) NOTUMIDH1
SCHEMBL10435852 0.80 FAAH (0.39) NOTUMIDH1
SCHEMBL8123321 0.77 SMN1; SMN2 (0.39) NOTUMSMN1; SMN2ALDH1A1AKR1C3IDH1
SCHEMBL8251051 0.76 IDH1 (0.38) IDH1
SCHEMBL8259871 0.76 CCR1 (0.41) CYP1A2CYP2C19SMN1; SMN2ALDH1A1IDH1
SCHEMBL8281158 0.76 F10 (0.39) IDH1
SCHEMBL22685973 0.73 ITK (0.48)
SCHEMBL22685987 0.73 ITK (0.48)
SCHEMBL22685974 0.73 ITK (0.48)

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
EP-0425209-A2 Naphthyloxazolidone derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-05-02 EP disclosed