SCHEMBL30114904

SCHEMBL30114904

Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(-n3c(-c4ccncc4)nc4cc(C(F)(F)F)c(Cl)cc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RHEB Q15382 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR2 P50052 4/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 1/20 0.34
RORC P51449 2/20 0.34
PTGS2 P35354 1/20 0.34
SCN9A Q15858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL21470221 1.00 PTGER4 (0.37) PTGER4ALDH1A1LMNASMN1; SMN2RHEB
SCHEMBL2356746 0.88 PTGER4 (0.48) PTGER4TP53KMT2AAGTR2MAPT
SCHEMBL2351917 0.88 HRH3 (0.38) PTGER4ALDH1A1LMNATP53AGTR2
SCHEMBL30114876 0.88 HRH3 (0.38) PTGER4ALDH1A1LMNATP53AGTR2
SCHEMBL6713139 0.87 PTGER4 (0.40) PTGER4AGTR2
SCHEMBL30114744 0.87 PTGER4 (0.37) PTGER4TP53KMT2AAGTR2MAPT
SCHEMBL21470223 0.87 PTGER4 (0.37) PTGER4TP53KMT2AAGTR2MAPT
SCHEMBL21470115 0.84 AGTR2 (0.37) PTGER4TP53KMT2AAGTR2MAPT
SCHEMBL30114922 0.84 AGTR2 (0.37) PTGER4TP53KMT2AAGTR2MAPT
SCHEMBL1625476 0.81 RHEB (0.38) ALDH1A1RHEBSIRT2SIRT1MAPT

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
EP-2976105-B1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC (JP) 2023-01-04 EP disclosed