SCHEMBL31362232

SCHEMBL31362232

CCCCCCCCC(O)CCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.49
CETP P11597 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HTR1A P08908 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
TLR2 O60603 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
SCHEMBL29242924 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL31362254 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL15153556 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL31362251 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL6026038 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL31362240 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL31399466 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL3429104 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL22749478 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1
SCHEMBL29113328 0.97 CSNK1E (0.49) CSNK1ECETPTDP1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025256-A Nitrogen-containing chain compound, preparation method, composition containing nitrogen-containing chain compound and application of nitrogen-containing chain compound 上海蓝鹊生物医药有限公司 2025-05-23 CN disclosed
CN-119264001-A Nitrogen-containing chain compound, preparation method, composition containing nitrogen-containing chain compound and application of nitrogen-containing chain compound 上海蓝鹊生物医药有限公司 2025-01-07 CN disclosed