SCHEMBL11491385

SCHEMBL11491385

CCCCOCCOC(=O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.50
▸ CES1 P23141 5/20 0.50
▸ RARB P10826 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ RECQL P46063 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL14845439 0.90 LMNA (0.54) CES2CES1LMNAALDH1A1MAPT
SCHEMBL14379683 0.90 LMNA (0.54) CES2CES1LMNAALDH1A1MAPT
SCHEMBL9095382 0.90 CES2 (0.56) CES2CES1LMNAALDH1A1MAPT
SCHEMBL30478610 0.88 CES2 (0.50) CES2CES1LMNAALDH1A1MAPT
SCHEMBL665971 0.88 CES2 (0.50) CES2CES1LMNAALDH1A1MAPT
SCHEMBL3312136 0.88 CES2 (0.50) CES2CES1LMNAALDH1A1MAPT
SCHEMBL13982035 0.88 CES2 (0.50) CES2CES1LMNAALDH1A1MAPT
Benzil SCHEMBL28423464 0.87 CES2 (0.59) CES2CES1RARBLMNAALDH1A1
SCHEMBL4739637 0.85 ALDH1A1 (0.54) CES2CES1LMNAALDH1A1MAPT
SCHEMBL9095301 0.85 CES2 (0.57) CES2CES1LMNAALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4024296-A Photocatalyst system and pigmented actinic light polymerizable coating compositions containing the same PPG INDUSTRIES, INC. (US) 1977-05-17 — — US claimed
US-4024297-A Actinic light polymerizable coating compositions PPG INDUSTRIES, INC. (US) 1977-05-17 — — US claimed
US-4229274-A PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS PPG INDUSTRIES, INC. (US) 1980-10-21 — — US disclosed
US-4054683-A Pigmented actinic light polymerizable coating compositions containing phenanthrenequinone PPG INDUSTRIES, INC. (US) 1977-10-18 — — US disclosed
US-4024297-A Actinic light polymerizable coating compositions PPG INDUSTRIES, INC. (US) 1977-05-17 — — US disclosed
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