SCHEMBL31245513

SCHEMBL31245513

CC(C)(C)[Si](C)(C)OCCc1ncccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ AGER Q15109 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NAPRT Q6XQN6 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MYC P01106 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38

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
SCHEMBL21957993 1.00 KDM4E (0.42) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL31245546 0.87 KDM4E (0.44) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL21957880 0.87 KDM4E (0.44) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL21957898 0.86 TDP1 (0.43) KDM4ETDP1ALDH1A1ALOX15TSHR
SCHEMBL22019546 0.83 KDM4E (0.40) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL30003143 0.80 FOLH1 (0.49) ALDH1A1ALOX15TSHRSMN1; SMN2LMNA
SCHEMBL22018769 0.80 KDM4E (0.41) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL21958053 0.80 KDM4E (0.41) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL2749775 0.79 KDM4E (0.50) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL21958037 0.78 LMNA (0.33) KDM4EALDH1A1CYP3A4MAPTL3MBTL1

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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