SCHEMBL4637032

SCHEMBL4637032

O=C(O)CCCCC(=O)OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 5/20 0.48
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 3/20 0.45
SLC22A6 Q4U2R8 2/20 0.43
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41
CYP2D6 P10635 1/20 0.41
FOLH1 Q04609 1/20 0.41
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39

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
Ammonia Solution, Strong SCHEMBL1408904 0.88 CA4 (0.42) TSHR
SCHEMBL27725186 0.88 CA4 (0.42) LMNATSHR
SCHEMBL8561065 0.86 LMNA (0.45) LMNATSHRSLC22A6FOLH1TDP1
SCHEMBL2201756 0.85 TSHR (0.43) TSHRSLC22A6TDP1BLM
SCHEMBL28316038 0.84 LMNA (0.43) LMNATSHRSLC22A6FOLH1TDP1
SCHEMBL29165564 0.80 LMNA (0.39) LMNATSHRSLC22A6FOLH1TDP1
Adipic Acid SCHEMBL28878629 0.80 LMNA (0.48) LMNATSHRNFKB1PMP22ALDH1A1
SCHEMBL18614732 0.80 CAMK2A (0.37) LMNATSHRSLC22A6GPR84FFAR1
SCHEMBL14918857 0.80 GPR84 (0.44) GPR84FFAR1FFAR4
SCHEMBL28135218 0.80 NFKB1 (0.44) LMNATSHRNFKB1PMP22ALDH1A1

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
WO-2008077871-A1 SALTS OF TEGASEROD NOVARTIS AG (CH) 2008-07-03 WO claimed
EP-1939176-A1 Salts of Tegaserod Novartis AG (CH) 2008-07-02 EP claimed
CN-113993826-B Interlayer film for laminated glass, roll, and laminated glass 积水化学工业株式会社 2023-09-19 CN disclosed
CN-107208118-A The non-natural microorganism of energy efficiency with raising 基因组股份公司 2017-09-26 CN disclosed
WO-2008077871-A1 SALTS OF TEGASEROD NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-1939176-A1 Salts of Tegaserod Novartis AG (CH) 2008-07-02 EP disclosed