SCHEMBL30834710

SCHEMBL30834710

COC(CCCCCCCCCC(=O)O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
FFAR4 Q5NUL3 2/20 0.52
FFAR1 O14842 2/20 0.52
GSTK1 Q9Y2Q3 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL10513905 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL6831483 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL6929072 0.98 ALDH1A1 (0.50) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL2068783 0.91 TSHR (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL10343436 0.86 KMT2A (0.53) ALDH1A1TSHRLMNANFKB1PMP22
Formic Acid SCHEMBL9657633 0.83 TSHR (0.42) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL27953391 0.81 GABRP (0.48) ALDH1A1TSHRLMNANFKB1
SCHEMBL1438637 0.81 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL1368882 0.81 TSHR (0.56) ALDH1A1TSHRLMNAPPARGPPARA
SCHEMBL7646382 0.81 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836267-A Process for preparing omega-aminocarboxylic acids and derivatives thereof 维尔萨利斯股份公司 2024-04-05 CN disclosed