SCHEMBL31498307

SCHEMBL31498307

O=C(CCc1ccccc1)OCCCCCCO.O=C(OCCO)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.59
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ APP P05067 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ BCHE P06276 1/20 0.41

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
SCHEMBL31498306 0.91 TDP1 (0.72) TDP1NPC1RAB9AAPPALOX5
SCHEMBL18668844 0.88 TDP1 (0.77) TDP1NPC1RAB9AAPPALOX5
SCHEMBL14723101 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL6425149 0.83 TDP1 (0.85) TDP1APPALOX5FFAR1ALDH1A1
SCHEMBL6821603 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL11896278 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL7295237 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL10790013 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL9712789 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3
SCHEMBL11896258 0.83 TDP1 (0.81) TDP1NPC1RAB9ASLC6A2SLC6A3

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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