SCHEMBL2964442

SCHEMBL2964442

O=C(O)c1ccc(OP(=O)(O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 3/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SRC P12931 1/20 0.41
BLM P54132 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL2773526 0.82 SRC (0.61) CA1CA2CA12CA4CA5A
SCHEMBL20819121 0.79 CA2 (0.71) CA1CA2CA12CA4CA5A
SCHEMBL18486484 0.79 CA1 (0.56) CA1CA2CA12CA4CA5A
SCHEMBL28351298 0.78 CA1 (0.50) CA1CA2CA12CA4CA5A
SCHEMBL4339728 0.78 CA1 (0.50) CA1CA2CA12CA4CA5A
SCHEMBL8028560 0.76 TSHR (0.55) CA1CA2CA12CA4CA5A
Bicarbonate SCHEMBL11410140 0.76 CA2 (0.62) CA1CA2CA12CA4CA5A
SCHEMBL1618715 0.76 CA1 (0.49) CA1CA2CA12CA4CA5A
SCHEMBL14097308 0.76 CA1 (0.57) CA1CA2TP53TSHRPARP15
SCHEMBL28515962 0.76 TSHR (0.59) CA1CA2CA12CA4CA5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759450-B2 Polytrimethylene terephthalate resin and method for producing the same ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-07-20 US disclosed
US-20060128905-A1 Polytrimethylene terephthalate resin and method for production thereof ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-06-15 US disclosed
EP-1571171-A1 POLYTRIMETHYLENE TEREPHTHALATE RESIN AND METHOD FOR PRODUCTION THEREOF Asahi Kasei Chemicals Corporation (JP) 2005-09-07 EP disclosed
US-4059546-A Textile fiber blend comprising cellulosic fibers and ethylene 2,6-naphthalene dicarboxylate-halogenated comonomers copolyester fibers AVTEX FIBERS INC. (US) 1977-11-22 US disclosed