SCHEMBL31245546

SCHEMBL31245546

CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ AGER Q15109 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NAPRT Q6XQN6 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ MYC P01106 1/20 0.39

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
SCHEMBL21957880 1.00 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL21957993 0.87 KDM4E (0.42) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL31245513 0.87 KDM4E (0.42) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL22018769 0.86 KDM4E (0.41) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL21958099 0.86 TDP1 (0.44) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL21958068 0.84 TSHR (0.46) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL22018757 0.82 CHRM2 (0.41) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL21958053 0.81 KDM4E (0.41) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL31132954 0.81 KDM5A (0.35) KDM4ETSHRSMN1; SMN2LMNACHRM2
SCHEMBL30781575 0.79 CHRM1 (0.51) KDM4EALDH1A1L3MBTL1NPSR1TSHR

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-113316568-B 2-Formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin 全球血液疗法股份有限公司 2024-11-08 — — CN disclosed
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