SCHEMBL9846387

SCHEMBL9846387

COC(Oc1ncccc1Oc1ccccc1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 3/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RY1 P47900 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL9668284 0.77 TDP1 (0.52) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL6206065 0.77 TSHR (0.47) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL4454902 0.76 MEN1 (0.54) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL9846328 0.75 SLC13A5 (0.38) TDP1ALDH1A1
SCHEMBL27259859 0.74 TDP1 (0.49) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL4938450 0.70 TDP1 (0.51) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL9846360 0.69 LMNA (0.43) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL8785472 0.69 ADRA2C (0.51) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL11170285 0.69 TDP1 (0.60) TDP1ALDH1A1GAAMAPTKMT2A
SCHEMBL6206489 0.69 NPC1 (0.45) TDP1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP claimed