SCHEMBL31498306

SCHEMBL31498306

O=C(CCc1ccccc1)OCCCCO.O=C(CCc1ccccc1)OCCO

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.72
▸ APP P05067 1/20 0.54
▸ FFAR1 O14842 3/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL18668844 0.97 TDP1 (0.77) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL6425149 0.92 TDP1 (0.85) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL31498307 0.91 TDP1 (0.59) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL12446327 0.89 TDP1 (0.64) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL7284943 0.88 TDP1 (0.62) TDP1FFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL27807272 0.87 TDP1 (0.89) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL1087411 0.86 TDP1 (0.60) TDP1APPFFAR1ALOX5ALDH1A1
SCHEMBL7284783 0.86 TDP1 (0.60) TDP1FFAR1ALOX5ALDH1A1LMNA
SCHEMBL7292076 0.86 TDP1 (0.60) TDP1FFAR1ALOX5ALDH1A1LMNA
SCHEMBL4850239 0.85 TDP1 (0.68) TDP1APPFFAR1ALOX5ALDH1A1

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-119842650-A Acyltransferase for synthesizing polyester intermediate and application thereof 中国科学院天津工业生物技术研究所 2025-04-18 — — CN disclosed
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