SCHEMBL9308145

SCHEMBL9308145

CCCCC(CC)CN(CC(CC)CCCC)C(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
ALDH1A1 P00352 4/20 0.46
REN P00797 2/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CTSK P43235 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
APEX1 P27695 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
SCHEMBL18531386 0.82 LMNA (0.45) CNR2ALDH1A1CA2CYP3A4KDM4E
SCHEMBL15015867 0.81 ALDH1A1 (0.46) CNR2ALDH1A1CA2CYP3A4KDM4E
SCHEMBL4584013 0.80 ALOX5 (0.48) CA2LTB4R2PRSS1MEN1KMT2A
SCHEMBL15016331 0.80 ALDH1A1 (0.45) CNR2ALDH1A1CA2CYP3A4KDM4E
SCHEMBL9308475 0.80 NPC1 (0.50) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL9306882 0.79 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4KDM4ELTB4R2
SCHEMBL24786011 0.79 ALPI (0.45) CNR2ALDH1A1CA2CYP3A4KDM4E
SCHEMBL9307974 0.77 CNR2 (0.62) CNR2RENCYP3A4LTB4R2POLB
SCHEMBL9307909 0.76 CA2 (0.47) ALDH1A1CA2CYP3A4LMNAHSD17B10
SCHEMBL23748009 0.76 ALDH1A1 (0.50) ALDH1A1CA2CYP3A4KDM4ELMNA

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
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
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 US disclosed