SCHEMBL28263192

SCHEMBL28263192

C=C(C(C)CCCCCCCCCCCC)C(C)CCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
ACE2 Q9BYF1 1/20 0.47
FDPS P14324 4/20 0.46
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 1/20 0.46
OPRM1 P35372 1/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20792042 0.88 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL4818574 0.83 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL11973104 0.83 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL9198238 0.83 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL11227926 0.83 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL6037327 0.83 CA1 (0.50) CA1ACE2FDPSSPHK1LMNA
SCHEMBL19051282 0.81 CA1 (0.44) CA1ACE2FDPSSPHK1LMNA
SCHEMBL13339037 0.80 CA1 (0.52) CA1ACE2FDPSSPHK1LMNA
SCHEMBL1286222 0.80 CA1 (0.52) CA1ACE2FDPSSPHK1LMNA
SCHEMBL13176869 0.80 CA1 (0.52) CA1ACE2FDPSSPHK1LMNA

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-110464738-A A kind of compound disinfectant preventing cow breast disease CHENGDU KEHONGDA TECH CO LTD 2019-11-19 CN disclosed
CN-109094135-A A kind of bacteria mildew-proof disappears peculiar smell fabric and preparation method thereof 江苏惟妙纺织科技有限公司 2018-12-28 CN disclosed