SCHEMBL27603666

SCHEMBL27603666

O=S(=O)(O)c1ccccc1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ ADRB2 P07550 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4202392 0.90 MYC (0.47) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL30446463 0.90 MYC (0.47) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL23322461 0.89 HDAC1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL10946611 0.87 BID (0.50) ALDH1A1MAPTKDM4ECYP3A4TDP1
SCHEMBL11583360 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL29512262 0.87 MMP12 (0.45) FFAR1MYCSLC16A3HTR2AHTR2C
SCHEMBL7738158 0.82 BCL2 (0.50) NR1H2MYCTSHRSMN1; SMN2HTR2A
SCHEMBL29740732 0.82 BCL2 (0.50) NR1H2MYCTSHRSMN1; SMN2HTR2A
SCHEMBL412301 0.81 PTGES2 (0.53) —
SCHEMBL5681255 0.81 NR1H2 (0.45) ALDH1A1MAPTKDM4ELMNACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080648-A Synthesis method of D-p-hydroxyphenylglycine double salt of dextro-phenylethanesulfonic acid 山东普洛汉兴医药有限公司 2024-12-06 — — CN disclosed
CN-1534612-A Magnetic particle mfg. method, magnetic particle and magnetic recording medium 富士胶片株式会社 2004-10-06 — — CN disclosed
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