SCHEMBL4377111

SCHEMBL4377111

COC(=O)CCCCCCN1C(=O)CCCC1C(O)=CCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.45
PTGER3 P43115 2/20 0.44
USP2 O75604 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
PTGER2 P43116 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 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
SCHEMBL4377107 1.00 PTGER4 (0.45) PTGER4PTGER3USP2HCRTR1HCRTR2
SCHEMBL11565978 0.83 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL6684187 0.83 PTGER4 (0.58) PTGER4PTGER3PTGER2
SCHEMBL4987836 0.77 PTGER4 (0.44) PTGER4PTGER3USP2PTGER2ALDH1A1
SCHEMBL4987198 0.77 PTGER4 (0.51) PTGER4PTGER3USP2PTGER2ALDH1A1
SCHEMBL5761771 0.77 PTGER4 (0.46) PTGER4PTGER3HCRTR1HCRTR2PTGER2
SCHEMBL5757536 0.77 PTGER4 (0.46) PTGER4PTGER3HCRTR1HCRTR2PTGER2
SCHEMBL4376664 0.76 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL4388295 0.76 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL4376663 0.76 PTGER4 (0.53) PTGER4PTGER3PTGER2

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-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP claimed