SCHEMBL14977968

SCHEMBL14977968

C=C(CC(=O)O)C(=O)Oc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
HCAR2 Q8TDS4 2/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
TYR P14679 1/20 0.45
AKR1B1 P15121 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
DPP4 P27487 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL10061399 0.87 MAPT (0.52) THRBATMCA12CA1CA2
SCHEMBL14679688 0.80 ATM (0.60) THRBATMHCAR2CA12AKR1B10
SCHEMBL27686559 0.78 GAA (0.39) THRBCA2ESR1ESR2HDAC6
SCHEMBL14508501 0.78 THRB (0.61) THRBATMHCAR2CA12AKR1B10
SCHEMBL528297 0.77 ELANE (0.45) THRBATMKMT2ARAB9AKDM4E
SCHEMBL22511018 0.76 THRB (0.64) THRBATMHCAR2CA12AKR1B10
SCHEMBL10061386 0.76 MAPT (0.52) CA12CA1CA2ESR1TYR
SCHEMBL10061390 0.76 MAPT (0.52) CA12CA1CA2ESR1TYR
SCHEMBL10061416 0.74 THRB (0.61) THRBATMHCAR2CA12AKR1B10
SCHEMBL14672544 0.74 THRB (0.61) THRBATMHCAR2CA12AKR1B10

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-8450517-B2 Photosensitive compound and its photosensitive polymer JNC CORPORATION (JP) 2013-05-28 US disclosed