SCHEMBL9306411

SCHEMBL9306411

CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
BCHE P06276 4/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 4/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 3/20 0.39
NAAA Q02083 1/20 0.39
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP12 P39900 1/20 0.35
ECE1 P42892 1/20 0.35
MMP13 P45452 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23481695 0.78 TSHR (0.37) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL31079602 0.77 SMN1; SMN2 (0.43) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL15015823 0.76 CYP3A4 (0.35) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL2475295 0.76 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL15520343 0.75 CYP3A4 (0.38) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL29771751 0.75 CYP3A4 (0.35) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL16909328 0.75 CYP3A4 (0.35) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL14354706 0.75 CNR2 (0.53) BCHECNR2NAAAMMP1
SCHEMBL15238199 0.75 CA2 (0.50) ALDH1A1TSHRCYP3A4ATMTDP1
SCHEMBL11406309 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1MAPK1

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