SCHEMBL9711534

SCHEMBL9711534

Cc1ccccc1C(=O)C1C(=O)CCNC1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9711518 0.85 PARP1 (0.36) ITGB1ITGA5ALDH1A1HTTHSD17B10
SCHEMBL10191381 0.79 NPC1 (0.45) HTTNPC1RAB9A
SCHEMBL9711668 0.78 KDM4E (0.47) ALDH1A1HTTHSD17B10TDP1MEN1
SCHEMBL9711560 0.76 TSHR (0.51) ALDH1A1TDP1NPC1RAB9AMEN1
SCHEMBL9711621 0.74 PARP1 (0.42) ALDH1A1NPC1RAB9APARP1PARP10
SCHEMBL9711646 0.73 ITGB1 (0.42) ITGB1ITGA5ALDH1A1HSD17B10MEN1
SCHEMBL9711583 0.71 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9APARP1PARP10
SCHEMBL9711723 0.70 HPD (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9711757 0.69 RAB9A (0.44) ALDH1A1HTTHSD17B10NPC1RAB9A
SCHEMBL9711814 0.69 HPGD (0.41) ALDH1A1HTTNPC1RAB9AMEN1

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed