SCHEMBL25390351

SCHEMBL25390351

O=C(c1cccc(O)c1)c1c(CC2CCCCC2)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 8/20 0.56
▸ EYA3 Q99504 7/20 0.47
▸ SLC22A12 Q96S37 2/20 0.47
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TTR P02766 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ PGR P06401 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ BIRC5 O15392 1/20 0.45
▸ HTR1A P08908 1/20 0.45

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
SCHEMBL25388810 0.87 EYA3 (0.63) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25388783 0.83 TTR (0.67) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25390567 0.83 EYA3 (0.66) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25388900 0.81 LMNA (0.47) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL6338280 0.79 EYA3 (0.73) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25389098 0.77 CYP2C19 (0.62) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25390712 0.75 EYA3 (0.76) CYP2C19EYA3SLC22A12TTRPTPN1
SCHEMBL25387947 0.71 SLC22A12 (0.55) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL25390557 0.70 EYA3 (0.50) CYP2C19EYA3SLC22A12LMNAMEN1
SCHEMBL11673639 0.70 CYP2C19 (0.67) CYP2C19EYA3LMNAMEN1KMT2A

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
WO-2023149549-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 — — WO disclosed
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