SCHEMBL28732298

SCHEMBL28732298

CCCCC(=O)CC(C)SCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 8/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL21596743 0.84 CYSLTR2 (0.44) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL12313631 0.81 CES1 (0.38) MAPTKMT2ATP53ALDH1A1MEN1
SCHEMBL23531268 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531270 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531334 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531287 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531318 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531371 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL23531288 0.80 EPHX1 (0.49) MAPTKMT2ACYSLTR2CYSLTR1HSD17B10
SCHEMBL21596754 0.79 ACE2 (0.39) MAPTKMT2ATP53AKR1B1ALDH1A1

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-114341323-A Compounds providing long lasting floral and fruity notes 弗门尼舍有限公司 2022-04-12 CN disclosed