SCHEMBL11223299

SCHEMBL11223299

NC(CF)(Cc1c(O)cccc1O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CASP6 P55212 2/20 0.35
BLM P54132 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL11087140 0.82 IAPP (0.41) ODC1SMN1; SMN2HIF1ACA1CA2
SCHEMBL6720237 0.81 AKR1B1 (0.47) ODC1SMN1; SMN2HIF1ACA12CA2
SCHEMBL25581435 0.78 ODC1 (0.43) ODC1SMN1; SMN2HIF1AKDM4ECASP6
SCHEMBL2212930 0.77 SMN1; SMN2 (0.60) ODC1SMN1; SMN2HIF1ABLMCYP1A2
SCHEMBL2896017 0.76 GRM2 (0.45) SMN1; SMN2HIF1AKDM4ECASP6BLM
SCHEMBL4245719 0.74 BLM (0.59) ODC1SMN1; SMN2HIF1ACA2KDM4E
SCHEMBL4245716 0.74 BLM (0.59) ODC1SMN1; SMN2HIF1ACA2KDM4E
SCHEMBL22033172 0.74 BLM (0.59) ODC1SMN1; SMN2HIF1ACA2KDM4E
SCHEMBL10780736 0.73 KDM4E (0.62) SMN1; SMN2HIF1ACA1CA2KDM4E
SCHEMBL6724640 0.73 KDM4E (0.62) SMN1; SMN2HIF1ACA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US claimed
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US disclosed