SCHEMBL4693153

SCHEMBL4693153

Cc1oc(OC(=O)O)cc1CSc1ccc(-c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.52
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
ESR1 P03372 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR2 Q92731 1/20 0.35
DRD1 P21728 1/20 0.34

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
SCHEMBL3531970 0.86 PTGER4 (0.71) PTGER4POLB
SCHEMBL4686947 0.83 PTGER4 (0.73) PTGER4
SCHEMBL3540319 0.82 PTGER4 (0.56) PTGER4LMNAPOLBMAPTSMN1; SMN2
SCHEMBL14199906 0.81 PTGER4 (0.55) PTGER4PPARGPPARALMNAPOLB
SCHEMBL4691619 0.80 PTGER4 (0.58) PTGER4PPARGPPARAPOLBNPC1
SCHEMBL4693864 0.80 PTGER4 (0.51) PTGER4LMNA
SCHEMBL3538565 0.76 PTGER4 (0.76) PTGER4
SCHEMBL3537596 0.73 PTGER4 (0.75) PTGER4
SCHEMBL4687523 0.73 PTGER4 (0.55) PTGER4
SCHEMBL4693688 0.70 PTGER4 (0.57) PTGER4

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-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed