SCHEMBL18400970

SCHEMBL18400970

C=C(C)C(=O)Oc1ccc(CC(=C)C(=O)Oc2ccc3oc(=O)ccc3c2)c2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.53
CA12 O43570 9/20 0.53
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 1/20 0.40
CA1 P00915 2/20 0.39
ALOX15 P16050 2/20 0.37
GAPDH P04406 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA4 P22748 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
SCHEMBL75401 0.81 CA9 (0.74) CA9CA12KDM4EGLAPOLB
SCHEMBL557165 0.73 CA12 (0.73) CA9CA12KDM4EGLAPOLB
SCHEMBL16283612 0.71 CA12 (1.00) CA9CA12KDM4EGLAPOLB
SCHEMBL18897994 0.71 CA9 (0.45) CA9CA12KDM4EGLAPOLB
SCHEMBL803231 0.67 ELANE (0.56) CA9CA12KDM4EGLAPOLB
SCHEMBL13609736 0.66 MCL1 (0.69) CA9CA12KDM4EGLAPOLB
SCHEMBL27265450 0.66 CA9 (0.71) CA9CA12KDM4EGLAPOLB
SCHEMBL23963403 0.66 CA12 (0.70) CA9CA12KDM4EGLAPOLB
SCHEMBL15357800 0.65 ELANE (0.50) CA9CA12KDM4EGLAPOLB
SCHEMBL3566985 0.65 ELANE (0.53) CA9CA12KDM4EGLAPOLB

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-9551932-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-24 US disclosed