SCHEMBL881497

SCHEMBL881497

Cn1nc(C(F)F)c(C(=O)NCc2ccc(C(=O)O)cc2)c1Oc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.57
PTGER2 P43116 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CYP3A4 P08684 2/20 0.46
MAPK14 Q16539 1/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PHGDH O43175 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL881387 0.83 PTGER4 (0.80) PTGER4PTGER2KDM4EMAPTPHGDH
SCHEMBL26403801 0.82 PTGER4 (0.73) PTGER4PTGER2MAPK14SMN1; SMN2
SCHEMBL876398 0.81 KDM4E (0.68) PTGER4PTGER2KDM4EMAPTCYP3A4
SCHEMBL15249919 0.81 PTGER4 (0.71) PTGER4PTGER2KDM4EMAPTCYP3A4
SCHEMBL24861734 0.78 PTGER4 (0.73) PTGER4PTGER2LMNAPHGDH
SCHEMBL26420304 0.78 PTGER4 (0.73) PTGER4PTGER2LMNAPHGDH
SCHEMBL15250012 0.76 PTGER4 (0.69) PTGER4PTGER2KDM4EMAPTCYP3A4
SCHEMBL15249947 0.75 PTGER4 (0.71) PTGER4PTGER2LMNASMN1; SMN2PHGDH
SCHEMBL28701983 0.74 PTGER4 (0.77) PTGER4PTGER2PHGDH
SCHEMBL28701981 0.74 PTGER4 (0.77) PTGER4PTGER2PHGDH

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
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 WO disclosed