SCHEMBL1478993

SCHEMBL1478993

O=C(O)c1ccc(OC(=O)c2cc(O)ccc2O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA7 P43166 6/20 0.59
CA9 Q16790 6/20 0.59
CA14 Q9ULX7 6/20 0.59
ALOX5 P09917 1/20 0.59
PTGS2 P35354 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
EGFR P00533 4/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL343211 0.92 CA1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL2281149 0.90 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL10787290 0.84 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30864246 0.81 HPGD (0.68) CA12CA1CA2CA7CA9
SCHEMBL11865229 0.81 HPGD (0.68) CA12CA1CA2CA7CA9
SCHEMBL11107585 0.81 ESR1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL742830 0.81 SMN1; SMN2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL439997 0.80 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL10788591 0.80 EGFR (0.65) CA12CA1CA2CA7CA9
SCHEMBL19024747 0.79 CA12 (0.54) CA12CA1CA2CA7CA9

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
EP-1378348-B1 Thermosensitive lithographic printing plate FUJIFILM CORP (JP) 2011-11-23 EP disclosed
US-7914787-B2 Provide inter alia a bi-specific antibody or antibody fragment having one arm that specifically binds a targeted tissue and one other arm that specifically binds a targetable conjugate that can be modified for use in a wide variety of diagnostic and therapeutic applications IMMUNOMEDICS, INC. (US) 2011-03-29 US disclosed