SCHEMBL3695491

SCHEMBL3695491

C=C(C)C(=O)OC1CCCC(OC(=O)C(=C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 2/20 0.32
TSHR P16473 1/20 0.32
NAAA Q02083 2/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL258581 0.91 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL149809 0.89 RAB9A (0.40) SERPINE1ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL3709326 0.89 ALDH1A1 (0.34) SERPINE1ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL201767 0.87 EPHX1 (0.42) ALDH1A1EPHX1TSHRNAAA
SCHEMBL10645478 0.87 EPHX1 (0.42) ALDH1A1EPHX1TSHRNAAA
SCHEMBL36619 0.87 EPHX1 (0.42) ALDH1A1EPHX1TSHRNAAA
SCHEMBL687414 0.87 ALDH1A1 (0.46) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL13431240 0.86 BTK (0.39) SERPINE1ALDH1A1TSHR
SCHEMBL887989 0.85 EPHX1 (0.46) ALDH1A1EPHX1NAAA
SCHEMBL18822970 0.85 EPHX1 (0.46) ALDH1A1EPHX1NAAA

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
US-20140343222-A1 POLY(LACTONE)S, METHOD OF MANUFACTURE, AND USES THEREOF SEGETIS, INC (US) 2014-11-20 US disclosed
US-8846817-B2 Ionic polymers, method of manufacture, and uses thereof SEGETIS, INC. (US) 2014-09-30 US disclosed
EP-2776491-A1 POLY(LACTONE)S, METHOD OF MANUFACTURE, AND USES THEREOF Segetis, Inc. (US) 2014-09-17 EP disclosed
CN-103210014-A Ionic polymers, method for producing same and use thereof SEGETIS INC 2013-07-17 CN disclosed
WO-2013071256-A1 POLY(LACTONE)S, METHOD OF MANUFACTURE, AND USES THEREOF SEGETIS, INC. (US) 2013-05-16 WO disclosed
US-20120118832-A1 IONIC POLYMERS, METHOD OF MANUFACTURE, AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed