SCHEMBL8490338

SCHEMBL8490338

C=C(Cc1ccc(S(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
ENPP2 Q13822 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
RORC P51449 1/20 0.41
PTGS2 P35354 4/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TGM2 P21980 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3426193 0.82 CA2 (0.46)
SCHEMBL396733 0.82 CA2 (0.54)
SCHEMBL395695 0.81 SMN1; SMN2 (0.46)
SCHEMBL397779 0.81 ALDH1A1 (0.49) PTGDR2
SCHEMBL168163 0.81 PTGDR2 (0.54) ENPP2PTGDR2PTGS2
SCHEMBL8052632 0.81 PTGDR2 (0.54) ENPP2PTGDR2PTGS2
SCHEMBL3654279 0.79 ENPP2 (0.48) AKR1C3ENPP2PTGDR2PTGS2EPHX2
Hydrochloric Acid SCHEMBL15411526 0.79 PTGDR2 (0.52) ENPP2PTGDR2PTGS2
SCHEMBL5420954 0.79 FNTA (0.49)
SCHEMBL394849 0.79 LMNA (0.53)

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-5976527-A High surface area support having bound latex particles containing oxirane groups for immobilization of substances SIOL, WERNER ROEHM GMBH CHEMISHE FABRIK (DE) 1999-11-02 US disclosed