SCHEMBL31019233

SCHEMBL31019233

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CC(=O)O)C(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.43
MAPK1 P28482 4/20 0.40
TSHR P16473 4/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
CA2 P00918 1/20 0.40
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARG P37231 5/20 0.38

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
SCHEMBL546146 0.84 CA2 (0.43) CA2LSS
SCHEMBL8143768 0.83 CA2 (0.50) GPR84MAPTHSP90AA1CA2PPARD
Cadaverine Tartrate SCHEMBL4443631 0.76 CA1 (0.44) GPR84MAPTCA2LSSFFAR1
SCHEMBL4661753 0.76 CA2 (0.50) GPR84MAPTHSP90AA1CA2PPARD
Cadaverine Tartrate SCHEMBL4447979 0.76 CA1 (0.44) GPR84MAPTCA2LSSFFAR1
Malic Acid SCHEMBL8437740 0.75 DNM1 (0.48) GPR84MAPK1TSHRGMNNLMNA
Cetrimonium SCHEMBL8437300 0.75 DNM1 (0.48) GPR84MAPK1TSHRGMNNLMNA
Malic Acid SCHEMBL8437259 0.75 DNM1 (0.48) GPR84MAPK1TSHRGMNNLMNA
SCHEMBL3859153 0.75 CA1 (0.47) CA2LSS
SCHEMBL6882306 0.75 CA1 (0.43) GPR84MAPK1MAPTMEN1KMT2A

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-115315244-B Cleaning composition 联合利华知识产权控股有限公司 2024-07-30 CN disclosed