SCHEMBL9306882

SCHEMBL9306882

CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
CYP3A4 P08684 2/20 0.48
GAA P10253 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL5145421 0.90 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4CA2LMNA
SCHEMBL22415242 0.87 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4GAACA2
SCHEMBL15138810 0.85 CYP3A4 (0.44) ALDH1A1HPGDCYP3A4GAACA2
SCHEMBL9753769 0.85 CYP3A4 (0.44) ALDH1A1HPGDCYP3A4GAACA2
SCHEMBL13111873 0.85 HPGD (0.58) ALDH1A1HPGDCYP3A4CA2LMNA
SCHEMBL10626033 0.84 ALDH1A1 (0.51) ALDH1A1CYP3A4GAACA2LMNA
SCHEMBL15137877 0.84 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4CA2LMNA
SCHEMBL15015867 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4CA2LMNA
SCHEMBL15016331 0.82 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4CA2LMNA
SCHEMBL10788251 0.82 CNR2 (0.44) ALDH1A1CYP3A4LMNAHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131335-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2020-04-30 US disclosed
EP-3612604-A1 SURFACE ACTIVE ADJUVANT Rhodia Operations (FR) 2020-02-26 EP disclosed
CN-110536936-A Surface-active adjuvant RHODIA OPERATIONS 2019-12-03 CN disclosed
WO-2018193009-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2018-10-25 WO disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed