SCHEMBL11491237

SCHEMBL11491237

COC(=O)C=CCNC(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
FOLH1 Q04609 1/20 0.42
ATM Q13315 2/20 0.40
KMT2A Q03164 2/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL11490287 0.79 EPHX1 (0.42) ATMKMT2AMEN1CYP2C9RAB9A
SCHEMBL11490284 0.78 KMT2A (0.41) ATMKMT2AMAPTALDH1A1KDM4E
SCHEMBL30368057 0.76 FOLH1 (0.44) FOLH1ATMKMT2ANAALAD2MAPT
SCHEMBL11039517 0.74 FOLH1 (0.51) FOLH1ATMKMT2ANAALAD2MAPT
SCHEMBL15661797 0.73 FOLH1 (0.50) CA2FOLH1ATMKMT2ANAALAD2
SCHEMBL2338313 0.73 FOLH1 (0.50) CA2FOLH1ATMKMT2ANAALAD2
SCHEMBL7403326 0.72 APAF1 (0.50) KMT2AALDH1A1MEN1CYP1A2ALOX15
SCHEMBL6129097 0.71 FOLH1 (0.47) CA12CA1CA2TYRCA7
SCHEMBL5995942 0.71 FOLH1 (0.47) CA12CA1CA2TYRCA7
SCHEMBL5904162 0.71 FOLH1 (0.47) CA12CA1CA2TYRCA7

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-4226864-A BACTERICIDES, ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-10-07 US disclosed