SCHEMBL21801482

SCHEMBL21801482

CCCCCCCCCCCCOC(=O)C(CC)C(C(=O)OCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
HTR2C P28335 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 6/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL8830167 1.00 NAAA (0.47) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL23152434 1.00 NAAA (0.47) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL29740120 0.82 HCAR2 (0.45) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL21801484 0.82 HCAR2 (0.45) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL23152436 0.82 HCAR2 (0.45) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL8830168 0.82 HCAR2 (0.45) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL2761368 0.82 HCAR2 (0.45) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL20545739 0.81 NAAA (0.42) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL27738330 0.81 NAAA (0.48) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL29184935 0.80 HCAR2 (0.44) NAAAEPHX1TSHRHTR2CHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110023-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 WO disclosed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 WO disclosed
WO-2024051922-A1 A FRAGRANCE MIXTURE (III) SYMRISE AG (DE) 2024-03-14 WO disclosed
EP-4326251-A1 COMPOSITIONS COMPRISING CANNABIDIOL AND, OPTIONALLY, BISABOLOL Symrise AG (DE) 2024-02-28 EP disclosed
WO-2024037712-A1 1-CYCLOOCTYLPROPAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2024-02-22 WO disclosed
WO-2024027922-A1 A FRAGRANCE MIXTURE (II) SYMRISE AG (DE) 2024-02-08 WO disclosed
EP-4291154-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION Symrise AG (DE) 2023-12-20 EP disclosed
WO-2023232245-A1 FRAGRANCES WITH CYCLOPROPYL STRUCTURE SYMRISE AG (DE) 2023-12-07 WO disclosed
WO-2023232243-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-12-07 WO disclosed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO disclosed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 WO disclosed
WO-2023160805-A1 FRAGRANCES WITH METHOXY ACETATE STRUCTURE SYMRISE AG (DE) 2023-08-31 WO disclosed
WO-2023147874-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-08-10 WO disclosed
WO-2023088551-A1 FRAGRANCES AND FRAGRANCE MIXTURES SYMRISE AG (DE) 2023-05-25 WO disclosed
EP-3849505-A1 A HAIR CARE COMPOSITION Symrise AG (DE) 2021-07-21 EP disclosed
WO-2021104645-A1 RIM BLOCK WITH IMPROVED SCENT PERFORMANCE SYMRISE AG (DE) 2021-06-03 WO disclosed
WO-2021073775-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN SYMRISE AG (DE) 2021-04-22 WO disclosed
WO-2020192865-A1 PLANT PEPTIDES AND THEIR APPLICATIONS SYMRISE AG (DE) 2020-10-01 WO disclosed
WO-2020052778-A1 A HAIR CARE COMPOSITION SYMRISE AG (DE) 2020-03-19 WO disclosed