SCHEMBL25390485

SCHEMBL25390485

O=C(c1cc(Br)c(O)c(Br)c1)c1c(CC2CCCCC2)oc2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 9/20 0.53
▸ EYA3 Q99504 6/20 0.53
▸ TTR P02766 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ PGR P06401 2/20 0.48
▸ ADRA2A P08913 2/20 0.48
▸ TBXA2R P21731 2/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ EYA2 O00167 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ PLIN1 O60240 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL25387947 0.89 SLC22A12 (0.55) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390527 0.88 EYA3 (0.49) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25393252 0.88 SLC22A12 (0.53) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390567 0.86 EYA3 (0.66) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390481 0.81 SLC22A12 (0.53) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL1287381 0.81 SLC22A12 (0.78) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390564 0.79 EYA3 (0.49) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25389800 0.78 TTR (0.74) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390557 0.76 EYA3 (0.50) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25387894 0.75 EYA3 (0.49) SLC22A12EYA3TTRCYP2C19CYP2C9

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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