SCHEMBL9302014

SCHEMBL9302014

O=C(O)c1cc(-c2ccccc2Cl)c2ccc(C(O)O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
P2RY14 Q15391 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAP4K4 O95819 1/20 0.38
ALPL P05186 1/20 0.38
GRM2 Q14416 1/20 0.38
PTPRC P08575 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9303054 0.83 P2RY14 (0.55) TTRP2RY14
SCHEMBL7554285 0.69 MEN1 (0.55) TTRP2RY14KDM4E
SCHEMBL30363668 0.69 MEN1 (0.55) TTRP2RY14KDM4E
SCHEMBL8089430 0.69 PTPN1 (0.53) TTRPTPRC
SCHEMBL10577207 0.69 TTR (0.44) TTRMAP4K4ALPLPTPRCKDM4E
SCHEMBL7907125 0.68 RARB (0.54) CA12CA9KDM4E
SCHEMBL28410867 0.67 MEN1 (0.52) AKR1C3AKR1C2KDM4E
SCHEMBL3927793 0.67 TSHR (0.59) TTRMAP4K4ALPLPTPRCKDM4E
SCHEMBL15124553 0.67 CYP2A6 (0.54) TTRMAP4K4ALPLKDM4ENPC1
SCHEMBL5924860 0.67 CYP2A6 (0.54) TTRMAP4K4ALPLKDM4ENPC1

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-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed