SCHEMBL9812604

SCHEMBL9812604

C=C(C(=O)O)c1ccc(O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CA2 P00918 3/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.43
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL7828899 0.84 TSHR (0.63) TSHRSMN1; SMN2KDM4EMAPTSRD5A2
SCHEMBL7096163 0.82 CA12 (0.61) CA2CA1KDM4ECA12POLB
SCHEMBL29503047 0.82 CA12 (0.61) CA2CA1KDM4ECA12POLB
SCHEMBL7831951 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1CA2TSHRHSD17B10
SCHEMBL29524547 0.79 TSHR (0.68) HSP90AA1HSP90AB1CA2TSHRHSD17B10
SCHEMBL184485 0.79 TSHR (0.68) HSP90AA1HSP90AB1CA2TSHRHSD17B10
SCHEMBL2649150 0.79 TSHR (0.68) HSP90AA1HSP90AB1CA2TSHRHSD17B10
SCHEMBL31620838 0.79 MAPT (0.49) TSHRLMNASMN1; SMN2GAAMAPT
Water SCHEMBL1984247 0.78 TSHR (0.65) HSP90AA1HSP90AB1CA2TSHRHSD17B10
Water SCHEMBL1984245 0.78 TSHR (0.65) HSP90AA1HSP90AB1CA2TSHRHSD17B10

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
EP-0155652-B2 PHOTOPOLYMERIZABLE MIXTURE AND RECORDING MATERIAL PRODUCED FROM IT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-10 EP disclosed
EP-0155652-B1 PHOTOPOLYMERIZABLE MIXTURE AND RECORDING MATERIAL PRODUCED FROM IT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP disclosed
US-4604342-A BINDER, PHOTOINITIATOR, AND ETHYLENICALLY UNSATURATED MONOMER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-05 US disclosed
EP-0155652-A2 Photopolymerizable mixture and recording material produced from it E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-09-25 EP disclosed