SCHEMBL8710058

SCHEMBL8710058

CCCc1c(S(C)(=O)=O)oc2ccc(Cl)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.46
TTR P02766 2/20 0.41
NQO1 P15559 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL7800184 0.82 KDM4E (0.55) NQO1ADORA3ALDH1A1TSHRNPC1
SCHEMBL5675844 0.82 TTR (0.46) TTRNQO1ADORA3CA1CA2
SCHEMBL8709921 0.80 ADORA3 (0.46) TTRNQO1ADORA3CA1CA2
SCHEMBL8715528 0.77 TTR (0.42) TTRNQO1ADORA3CA1CA2
SCHEMBL8713236 0.73 CYP3A4 (0.43) CA2ALDH1A1NPC1RAB9AHTT
SCHEMBL8710468 0.69 TTR (0.43) TTRNQO1ADORA3CA1CA2
SCHEMBL4092241 0.69 TTR (0.71) TTRNQO1ADORA3CA1CA2
SCHEMBL5680363 0.69 KMT2A (0.42) CA12CA9KMT2AHSD17B10
SCHEMBL5677180 0.69 APP (0.36) TTRNQO1ADORA3ALDH1A1NPC1
SCHEMBL3687096 0.65 AKR1B1 (0.56) AKR1B1ADORA3MAOBALDH1A1POLB

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
WO-1998027080-A1 CHROMONES USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1998-06-25 WO disclosed