SCHEMBL25266462

SCHEMBL25266462

CCCCCCCCCCCCCCCCCC(=O)N(C(=O)CCCCCCCCCCC)C(C)C(=O)O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.47
▸ PPARG P37231 7/20 0.47
▸ PPARD Q03181 7/20 0.47
▸ PPARA Q07869 7/20 0.47
▸ HDAC11 Q96DB2 5/20 0.47
▸ TSHR P16473 4/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TLR2 O60603 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ FABP4 P15090 2/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL25207114 1.00 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28771121 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28771120 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31442648 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31442796 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31442798 0.98 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
Alanine SCHEMBL28721705 0.93 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27224498 0.85 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27232894 0.85 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL29187742 0.84 FFAR1 (0.46) GPR84PPARDFFAR1FFAR4FAAH

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-114133344-B Method for preparing N-fatty acyl amino acid surfactant by high-temperature melting direct condensation 江苏奥洁生物科技有限公司 2024-03-22 — — CN disclosed
WO-2023093560-A1 METHOD FOR PREPARING N-FATTY ACYL AMINO ACID SURFACTANT BY MEANS OF HIGH-TEMPERATURE MELTING AND DIRECT CONDENSATION 江苏奥洁生物科技有限公司 2023-06-01 — — WO disclosed
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