SCHEMBL18943758

SCHEMBL18943758

B[C@@](C)(O)/C=C/[C@H]1CC(F)(F)C(=O)N1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL18133252 0.76 PTGER4 (0.35) PTGER4PTGER3PTGER2P2RX7
SCHEMBL16408740 0.75 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL15586937 0.75 PTGER4 (0.41) PTGER4PTGER3PTGER2
SCHEMBL21119072 0.72 PTGER4 (0.34) PTGER4PTGER3PTGER2P2RX7
SCHEMBL15587106 0.72 PTGER4 (0.34) PTGER4PTGER3PTGER2P2RX7
SCHEMBL16844618 0.62 NOTUM (0.33) P2RX7
SCHEMBL16844617 0.62 NOTUM (0.33) P2RX7
SCHEMBL16844621 0.62 NOTUM (0.33) P2RX7
SCHEMBL19588832 0.60 P2RX7 (0.42) PTGER4PTGER3PTGER2P2RX7
SCHEMBL15587045 0.60 P2RX7 (0.34) P2RX7

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-3175852-A1 DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS Cayman Chemical Company, Incorporated (US) 2017-06-07 — — EP disclosed
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