SCHEMBL7846834

SCHEMBL7846834

C=CC(O)c1cccc(C(N)=O)c1C(O)C=C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP2 P50579 1/20 0.34
GAA P10253 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDPK1 O15530 1/20 0.33
BCAT2 O15382 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL10615477 0.90 PARP1 (0.43) PARP1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL7197042 0.84 KDM4E (0.44) PARP1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL9511172 0.80 FAAH (0.31) ALDH1A1HPGDTSHRLMNA
SCHEMBL10423079 0.79 PARP1 (0.30) PARP1
SCHEMBL5368315 0.75 ALDH1A1 (0.30) ALDH1A1HPGDTSHRHSD17B10
SCHEMBL3422454 0.73 CES2 (0.38) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL4041905 0.72 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4553803 0.70 KDM4E (0.44) PARP1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL2335765 0.70 IRAK4 (0.43) PARP1KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL13304309 0.70 CYP3A4 (0.38) KDM4EALDH1A1MAPTHPGDTSHR

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-1135448-A1 OPTICAL FIBER CONNECTOR USING COLORED PHOTOCURABLE ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-09-26 EP disclosed
WO-2000022060-A1 OPTICAL FIBER CONNECTOR USING COLORED PHOTOCURABLE ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-04-20 WO disclosed