SCHEMBL27899472

SCHEMBL27899472

O=C(O)CCCCC(Cl)CCCl.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.44
TSHR P16473 1/20 0.44
PMP22 Q01453 1/20 0.44
GSTK1 Q9Y2Q3 2/20 0.44
ENPEP Q07075 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BBOX1 O75936 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP2D6 P10635 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL5662022 0.98 LMNA (0.48) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL5472354 0.98 LMNA (0.48) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL20496986 0.98 LMNA (0.48) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL8803346 0.83 LMNA (0.50) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL7824995 0.81 TSHR (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL28202354 0.81 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL8682406 0.81 TSHR (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL7928645 0.81 FOLH1 (0.41) LMNATSHRPMP22GSTK1ENPEP
SCHEMBL7607291 0.79 FFAR4 (0.60) TSHRFFAR4FFAR1SLC22A6ALDH1A1
SCHEMBL9004575 0.79 ALDH1A1 (0.58) LMNATSHRFFAR4FFAR1SLC22A6

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-102993167-B Preparation method of selenium caprylate TAIZHOU VOCATIONAL & TECHNICAL COLLEGE (CN) 2014-10-29 CN claimed
CN-102993167-A Preparation method of selenium caprylate TAIZHOU VOCATIONAL & TECHNICAL COLLEGE 2013-03-27 CN claimed
CN-102993167-B Preparation method of selenium caprylate TAIZHOU VOCATIONAL & TECHNICAL COLLEGE (CN) 2014-10-29 CN disclosed
CN-102993167-A Preparation method of selenium caprylate TAIZHOU VOCATIONAL & TECHNICAL COLLEGE 2013-03-27 CN disclosed