SCHEMBL22116262

SCHEMBL22116262

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.77
▸ MAPK1 P28482 4/20 0.75
▸ LMNA P02545 4/20 0.75
▸ MAPT P10636 4/20 0.75
▸ MEN1 O00255 4/20 0.75
▸ KMT2A Q03164 4/20 0.75
▸ GMNN O75496 3/20 0.75
▸ NPSR1 Q6W5P4 3/20 0.75
▸ TP53 P04637 3/20 0.75
▸ TSHR P16473 3/20 0.75
▸ HSP90AA1 P07900 2/20 0.75
▸ BLM P54132 2/20 0.75
▸ NR1H4 Q96RI1 2/20 0.75
▸ CYP2C9 P11712 2/20 0.75
▸ HIF1A Q16665 2/20 0.75
▸ GLA P06280 1/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ SLC25A20 O43772 3/20 0.56
▸ CYP2D6 P10635 2/20 0.56

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
SCHEMBL28289386 1.00 CYP1A2 (0.77) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL22116165 1.00 CYP1A2 (0.77) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL29440234 0.97 CYP1A2 (0.82) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL22116167 0.97 CYP1A2 (0.82) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL29652051 0.95 MAPK1 (0.83) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL29378967 0.89 MEN1 (0.72) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL31180037 0.89 MEN1 (0.72) CYP1A2MAPK1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL10626781 0.89 MAPK1 (0.72) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL12137162 0.89 CYP1A2 (0.91) CYP1A2MAPK1LMNAMAPTMEN1
SCHEMBL28699690 0.89 CYP1A2 (0.75) CYP1A2MAPK1LMNAMAPTMEN1

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
EP-3897559-A1 PROCESS FOR TREATING KERATIN FIBERS USING A COMPOSITION COMPRISING A CARNITINE SALT OR CARNITINE DERIVATIVE SALT COMPRISING AN ALIPHATIC DICARBOXYLIC ACID ANION L'OREAL (FR) 2021-10-27 — — EP disclosed
WO-2020127764-A1 PROCESS FOR TREATING KERATIN FIBERS USING A COMPOSITION COMPRISING A CARNITINE SALT OR CARNITINE DERIVATIVE SALT COMPRISING AN ALIPHATIC DICARBOXYLIC ACID ANION L'OREAL (FR) 2020-06-25 — — WO disclosed
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