SCHEMBL21409613

SCHEMBL21409613

CC1(C)OCC(CCCCCO)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.35
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UGT2B7 P16662 1/20 0.32
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL21409717 1.00 CA2 (0.40) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2757771 1.00 CA2 (0.40) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL714194 0.98 CA2 (0.41) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL20707235 0.98 CA2 (0.41) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL9152721 0.93 CA2 (0.38) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL4929770 0.92 CA2 (0.42) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL1243925 0.92 CA2 (0.42) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL929572 0.92 CA2 (0.42) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL9152542 0.89 CA2 (0.49) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL649656 0.84 CA2 (0.44) CA2ALDH1A1TMEM97SIGMAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3839028-B1 CLEANING PRODUCT PROCTER & GAMBLE (US) 2025-01-15 EP disclosed
US-11834627-B2 Cleaning product THE PROCTER & GAMBLE COMPANY (US) 2023-12-05 US disclosed
WO-2021126645-A1 CLEANING PRODUCT THE PROCTER & GAMBLE COMPANY (US) 2021-06-24 WO disclosed
EP-3839028-A1 CLEANING PRODUCT The Procter & Gamble Company (US) 2021-06-23 EP disclosed
US-20210179971-A1 CLEANING PRODUCT THE PROCTER & GAMBLE COMPANY 2021-06-17 US disclosed
WO-2019188140-A1 LIQUID DETERGENT COMPOSITION ライオン株式会社 2019-10-03 WO disclosed