SCHEMBL25389393

SCHEMBL25389393

CC(C)(C)CCc1oc2cc(Cl)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 9/20 0.57
▸ EYA3 Q99504 6/20 0.57
▸ TTR P02766 4/20 0.57
▸ CYP2C19 P33261 4/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ PTPN1 P18031 3/20 0.53
▸ EYA2 O00167 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ PLIN1 O60240 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALB P02768 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ NR3C1 P04150 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PGR P06401 1/20 0.53

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
SCHEMBL25391537 0.88 TTR (0.57) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25388498 0.86 TTR (0.74) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL26809272 0.85 SLC22A12 (0.78) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25389780 0.81 TTR (0.57) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25389481 0.80 TTR (0.53) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25389864 0.77 TTR (0.74) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390481 0.77 SLC22A12 (0.53) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL30357412 0.76 SLC22A12 (0.78) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL6336510 0.76 SLC22A12 (0.78) SLC22A12EYA3TTRCYP2C19CYP2C9
SCHEMBL25390899 0.73 EYA3 (0.73) EYA3TTRCYP2C9PTPN1MEN1

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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