SCHEMBL25389098

SCHEMBL25389098

O=C(c1cccc(O)c1)c1c(Cc2ccccc2)oc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.62
▸ EYA3 Q99504 7/20 0.52
▸ SLC22A12 Q96S37 2/20 0.52
▸ NR1H4 Q96RI1 3/20 0.52
▸ PTPN1 P18031 3/20 0.49
▸ TTR P02766 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ABCB11 O95342 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PGR P06401 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ TBXA2R P21731 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ BIRC5 O15392 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ PTGS1 P23219 1/20 0.49

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
SCHEMBL11734971 0.88 EYA3 (0.57) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL6345467 0.85 EYA3 (0.71) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL6338280 0.84 EYA3 (0.73) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL6336681 0.81 EYA3 (0.75) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL6336499 0.81 EYA3 (0.73) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL25390712 0.80 EYA3 (0.76) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL25389945 0.79 PTPN1 (0.48) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL11673639 0.77 CYP2C19 (0.67) CYP2C19EYA3PTPN1CYP2C9MEN1
SCHEMBL25390351 0.77 CYP2C19 (0.56) CYP2C19EYA3SLC22A12NR1H4PTPN1
SCHEMBL11464067 0.76 MTNR1A (0.58) CYP2C19EYA3SLC22A12PTPN1CYP2C9

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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