SCHEMBL30457873

SCHEMBL30457873

N#CCOc1cc(Br)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ ERN1 O75460 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CYP2A6 P11509 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL21639308 1.00 PTGDR2 (0.44) PTGDR2ERN1TP53HPGDALDH1A1
SCHEMBL7634896 0.87 PTGDR2 (0.59) PTGDR2ERN1TP53HPGDALDH1A1
SCHEMBL15240136 0.84 HPGD (0.55) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL20540458 0.83 PTGDR2 (0.44) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL30617434 0.83 PTGDR2 (0.44) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL17182744 0.81 ALDH1A1 (0.41) ERN1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28771891 0.80 PTGDR2 (0.49) PTGDR2ERN1HPGDALDH1A1HTT
SCHEMBL22636353 0.79 TP53 (0.40) PTGDR2TP53HPGDALDH1A1SMN1; SMN2
SCHEMBL7817452 0.78 ALDH1A1 (0.63) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20505239 0.78 LMNA (0.59) PTGDR2ERN1HPGDALDH1A1HTT

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
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 — — CN disclosed
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