SCHEMBL29012011

SCHEMBL29012011

O=C(O)CCCCCCCCCC(OO)(OO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
GPR84 Q9NQS5 8/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 4/20 0.42
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
FABP4 P15090 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A6 Q4U2R8 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
SCHEMBL29012035 1.00 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL29257967 1.00 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL29012021 1.00 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL30441966 0.79 CES2 (0.42) TSHRGPR84FFAR1FFAR4ALDH1A1
SCHEMBL9160891 0.77 TSHR (0.43) TSHRLMNANFKB1PMP22GPR84
SCHEMBL16421115 0.73 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3261834 0.73 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL176224 0.73 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL165858 0.73 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
Azelaic Acid SCHEMBL27659344 0.73 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84

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-116323896-A Water-soluble fiber with post-processing modification and articles containing the same 蒙诺苏尔有限公司 2023-06-23 CN disclosed
CN-116234897-A Water-soluble fiber with post-processing modification and articles containing the same 蒙诺苏尔有限公司 2023-06-06 CN disclosed