SCHEMBL9640769

SCHEMBL9640769

O=C(O)c1ccc2oc(=O)cc(O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.60
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
TTR P02766 7/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
AKR1B1 P15121 3/20 0.46
STS P08842 1/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8114039 0.85 PIM1 (0.58) PIM1CA12CA1CA9TTR
SCHEMBL8121665 0.81 PIM1 (0.54) PIM1CA12CA1CA9KDM4E
SCHEMBL71110 0.79 TTR (0.68) PIM1CA12CA1CA9TTR
SCHEMBL5341818 0.78 KDM4E (0.72) PIM1CA12CA1CA9KDM4E
SCHEMBL68189 0.78 TTR (0.83) TTRKDM4EALDH1A1KMT2AAKR1B1
SCHEMBL8115268 0.77 CA12 (0.55) PIM1CA12CA1CA9KDM4E
Hydrochloric Acid SCHEMBL11749391 0.77 TTR (0.81) TTRKDM4EALDH1A1KMT2AAKR1B1
SCHEMBL28749839 0.76 PIM1 (0.49) PIM1CA12CA1CA9KDM4E
SCHEMBL2761544 0.75 PIM1 (1.00) PIM1CA12CA1CA9KDM4E
SCHEMBL2490464 0.75 PIM1 (0.64) PIM1CA12CA1CA9KDM4E

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
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 US disclosed