SCHEMBL16451667

SCHEMBL16451667

O=C(CO)OCCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
TYR P14679 1/20 0.54
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APP P05067 2/20 0.49
YWHAG P61981 1/20 0.49
CA2 P00918 3/20 0.48

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
SCHEMBL15153035 0.89 YWHAG (0.62) METCA12CA1CA4CA6
SCHEMBL19047031 0.86 APP (0.59) METCA12CA1CA4CA6
SCHEMBL12246766 0.85 APP (0.67) METCA12CA1CA4CA6
SCHEMBL8985470 0.83 MET (0.55) METCA12CA1CA4CA6
SCHEMBL6025448 0.82 TDP1 (0.66) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL419309 0.82 ESR1 (0.64) METCA12CA1CA4CA6
SCHEMBL19047033 0.82 MET (0.59) METCA12CA1CA4CA6
SCHEMBL15164356 0.82 MET (0.59) METCA12CA1CA4CA6
SCHEMBL15164333 0.81 APP (0.54) METCA12CA1CA4CA6
SCHEMBL19047040 0.81 YWHAG (0.58) METCA12CA1CA4CA6

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-20150045451-A1 POLYMERIC BIOMATERIALS DERIVED FROM MONOMERS COMPRISING HYDROXYACIDS AND PHENOL COMPOUNDS AND THEIR MEDICAL USES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-02-12 US disclosed