SCHEMBL30504236

SCHEMBL30504236

O=C(O)CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTK1 Q9Y2Q3 2/20 0.71
▸ TSHR P16473 5/20 0.67
▸ LMNA P02545 2/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ FFAR4 Q5NUL3 3/20 0.56
▸ FFAR1 O14842 3/20 0.56
▸ GPR84 Q9NQS5 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ SLC22A6 Q4U2R8 2/20 0.53
▸ PPARG P37231 6/20 0.52
▸ PPARD Q03181 6/20 0.52
▸ PPARA Q07869 6/20 0.52
▸ HDAC11 Q96DB2 5/20 0.52
▸ TLR2 O60603 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ FABP4 P15090 2/20 0.52
▸ PTPN1 P18031 2/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL30190004 1.00 GSTK1 (0.71) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL28749288 0.94 GSTK1 (0.74) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL30483445 0.94 GSTK1 (0.74) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL11619149 0.92 GSTK1 (0.64) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL30864717 0.91 GSTK1 (0.61) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL38658642 0.90 GSTK1 (0.65) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL25195763 0.89 FFAR4 (0.74) TSHRFFAR4FFAR1GPR84ALDH1A1
SCHEMBL10592536 0.89 FFAR4 (0.74) TSHRFFAR4FFAR1GPR84ALDH1A1
SCHEMBL5710166 0.89 FFAR4 (0.74) TSHRFFAR4FFAR1GPR84ALDH1A1
SCHEMBL21765897 0.89 GSTK1 (0.59) GSTK1TSHRLMNANFKB1PMP22

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-112770715-B Composition for providing a protective barrier 欧莱雅 2023-07-18 — — CN disclosed
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