SCHEMBL25389481

SCHEMBL25389481

CC(C)(C)CCc1oc2c(Cl)cccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 6/20 0.53
▸ SLC22A12 Q96S37 10/20 0.52
▸ EYA3 Q99504 5/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ EYA2 O00167 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ PLIN1 O60240 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL25393151 0.88 TTR (0.55) TTREYA3CYP2C19CYP2C9MEN1
SCHEMBL25391104 0.87 TTR (0.71) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL26809440 0.87 SLC22A12 (0.68) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL25389780 0.85 TTR (0.57) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL25389393 0.80 SLC22A12 (0.57) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL25390573 0.78 TTR (0.71) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL30258456 0.78 SLC22A12 (0.68) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL30258574 0.77 SLC22A12 (0.71) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL30258713 0.76 SLC22A12 (0.70) TTRSLC22A12EYA3CYP2C19CYP2C9
SCHEMBL25390240 0.75 TTR (0.69) TTRSLC22A12EYA3CYP2C19CYP2C9

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
Send feedback