SCHEMBL28023159

SCHEMBL28023159

CCCCC(CC)COC(=O)Oc1ccccc1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ CA2 P00918 1/20 0.62
▸ LMNA P02545 3/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ MAPK1 P28482 3/20 0.53
▸ TSHR P16473 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ZDHHC2 Q9UIJ5 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
SCHEMBL11177661 0.99 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL728513 0.87 CYP1A2 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11170916 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL8959110 0.83 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2LMNAPRSS1
Benzene SCHEMBL1131609 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL8372974 0.83 ALDH1A1 (0.82) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL15842930 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL15842931 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822816-B Detergent composition 荷兰联合利华有限公司 2018-03-13 — — CN claimed
CN-104822816-A Detergent composition UNILEVER NV 2015-08-05 — — CN claimed
CN-104822816-B Detergent composition 荷兰联合利华有限公司 2018-03-13 — — CN disclosed
CN-104822816-A Detergent composition UNILEVER NV 2015-08-05 — — CN disclosed
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