SCHEMBL5496282

SCHEMBL5496282

CCCCOC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGER2 P43116 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 2/20 0.45
KDM4E B2RXH2 1/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4449295 0.82 PTGER4 (0.50) PTGER4SMN1; SMN2PTGER2MEN1KMT2A
SCHEMBL4448771 0.81 PTGER4 (0.65) PTGER4PTGER2KMT2ACYP1A2CYP2C19
SCHEMBL8350630 0.77 L3MBTL1 (0.52) PTGER4LMNAPTGER2MEN1KMT2A
SCHEMBL1585570 0.75 PPARG (0.52) PTGER4PTGER2
SCHEMBL28761543 0.72 PTGER4 (0.53) PTGER4LMNASMN1; SMN2PTGER2MEN1
SCHEMBL4450413 0.71 PTGER4 (0.81) PTGER4SMN1; SMN2PTGER2MEN1KMT2A
SCHEMBL4450421 0.71 PTGER4 (0.56) PTGER4LMNASMN1; SMN2PTGER2MEN1
SCHEMBL12697368 0.70 FAAH (0.61) PTGER4LMNASMN1; SMN2PTGER2KMT2A
SCHEMBL29960013 0.70 LMNA (0.56) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8280173 0.69 ESR1 (0.72) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed