SCHEMBL9162872

SCHEMBL9162872

O=P(Oc1ccc(Oc2ccccc2)cc1)(Sc1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.62
CA12 O43570 7/20 0.62
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA4 P22748 7/20 0.62
CA5A P35218 7/20 0.62
CA7 P43166 7/20 0.62
CA5B Q9Y2D0 7/20 0.62
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LTA4H P09960 3/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 1/20 0.40
PGR P06401 2/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL408020 0.90 CA12 (0.69) CA9CA12CA1CA2CA4
SCHEMBL8804099 0.83 CA1 (0.58) CA9CA12CA1CA2CA4
SCHEMBL7294894 0.80 CA1 (0.59) CA9CA12CA1CA2CA4
SCHEMBL9164159 0.74 TDP1 (0.83) CA9CA12CA1CA2CA4
SCHEMBL3079774 0.73 L3MBTL1 (0.55) CA9CA12CA1CA2CA4
SCHEMBL9163448 0.72 L3MBTL1 (0.54) CA9CA12CA1CA2CA4
SCHEMBL11384659 0.72 LTA4H (0.57) CA9CA1CA2TDP1L3MBTL1
SCHEMBL258266 0.70 SRC (0.52) CA9CA12CA1CA2CA4
SCHEMBL10798101 0.70 LTA4H (0.55) CA9CA1CA2TDP1L3MBTL1
SCHEMBL1050147 0.70 KCNH2 (0.57) CA9CA12CA1CA2CA4

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-5387353-A Aryl diarenephosphinates, diaryl arenephosphonates, and arenephosphonothioates THE DOW CHEMICAL COMPANY (US) 1995-02-07 US disclosed