SCHEMBL894764

SCHEMBL894764

CC(=O)Nc1cccc(C(N)=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.50
CXCR2 P25025 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
PARP1 P09874 1/20 0.45
DHODH Q02127 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BTK Q06187 1/20 0.45
PTK2 Q05397 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL909725 0.85 HSD17B10 (0.56) ALOX15MAPK1HSD17B10POLBCYP2C19
SCHEMBL4290828 0.84 KDM4E (0.59) ALOX15MAPK1HSD17B10POLBCXCR2
SCHEMBL894741 0.83 SIRT2 (0.70) SIRT2MAPK1POLBCYP2C19ALDH1A1
SCHEMBL4959475 0.82 ALDH1A1 (0.59) ALOX15MAPK1HSD17B10POLBCYP2C19
SCHEMBL5509803 0.82 SIRT2 (0.55) SIRT2POLBCYP2C19ALDH1A1HPGD
SCHEMBL16305428 0.82 SIRT2 (0.55) SIRT2HSD17B10POLBCYP2C19ALDH1A1
SCHEMBL7426825 0.81 HSD17B10 (0.63) ALOX15MAPK1HSD17B10POLBCXCR2
SCHEMBL22652375 0.78 HSD17B10 (0.50) SIRT2ALOX15MAPK1HSD17B10POLB
SCHEMBL22289678 0.78 SIRT2 (0.51) SIRT2MAPK1POLBCYP2C19ALDH1A1
SCHEMBL28552726 0.78 PDCD1 (0.63) SIRT2MAPK1POLBCXCR2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-2440034-A1 HIGH OIL CONTENT PLANTS Bayer BioScience N.V. (BE) 2012-04-18 EP disclosed
US-20120084883-A1 High Oil Content Plants BAYER CROPSCIENCE N.V. (BE) 2012-04-05 US disclosed
WO-2010142424-A1 HIGH OIL CONTENT PLANTS BAYER BIOSCIENCE N.V. (BE) 2010-12-16 WO disclosed