SCHEMBL29080843

SCHEMBL29080843

CCCCC(CC)CC(=O)Oc1cccc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ ACE P12821 1/20 0.36

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
SCHEMBL28379897 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28371448 0.82 KDM4E (0.57) ALDH1A1KDM4EMEN1RECQLKMT2A
SCHEMBL28375343 0.81 L3MBTL1 (0.49) ALDH1A1CYP3A4CA2KDM4EMEN1
SCHEMBL9561631 0.81 KMT2A (0.52) ALDH1A1LMNAKDM4EMEN1RECQL
SCHEMBL28376629 0.81 KDM4E (0.56) LMNAKDM4EMEN1RECQLKMT2A
SCHEMBL11665156 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL27920269 0.80 KDM4E (0.47) ALDH1A1LMNAKDM4EMEN1RECQL
Anthracene SCHEMBL28584681 0.80 CA2 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL3414896 0.80 CA2 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20915495 0.80 POLM (0.53) ALDH1A1LMNAKDM4EMEN1RECQL

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-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 — — CN disclosed
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