SCHEMBL31187222

SCHEMBL31187222

CCCCCC(O)CCC(O)CCC=CCC=CCCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.77
▸ NFKB2 Q00653 1/20 0.77
▸ RELA Q04206 1/20 0.77
▸ PPARG P37231 5/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ PPARD Q03181 4/20 0.69
▸ PPARA Q07869 4/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ CYP19A1 P11511 2/20 0.69
▸ FABP4 P15090 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ ALOX15 P16050 2/20 0.69
▸ NR4A2 P43354 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ AKR1C3 P42330 2/20 0.69
▸ MEN1 O00255 1/20 0.69

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
SCHEMBL31187215 0.98 NFKB1 (0.79) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL18258515 0.98 NFKB1 (0.79) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL7554172 0.97 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL18258564 0.97 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL7551354 0.97 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL6703852 0.94 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL6703858 0.94 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL18258525 0.94 NFKB1 (0.77) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL18258540 0.93 NFKB1 (0.75) NFKB1NFKB2RELAPPARGALDH1A1
SCHEMBL27968801 0.93 NFKB1 (0.75) NFKB1NFKB2RELAPPARGALDH1A1

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-118813727-A Fatty acid hydratase and use thereof 丰益国际有限公司 2024-10-22 — — CN disclosed
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