SCHEMBL17808005

SCHEMBL17808005

CCN1C(=O)C(F)(F)C[C@@H]1C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 9/20 0.38
▸ PTGER2 P43116 6/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ KCNH2 Q12809 1/20 0.34
▸ HCRTR1 O43613 3/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL15587106 0.77 PTGER4 (0.34) PTGER4PTGER2PTGER3KCNH2
SCHEMBL21119072 0.77 PTGER4 (0.34) PTGER4PTGER2PTGER3KCNH2
SCHEMBL18614168 0.73 NOTUM (0.30) —
SCHEMBL18943211 0.73 NOTUM (0.30) —
SCHEMBL16058266 0.71 PTGER4 (0.64) PTGER4PTGER2PTGER3KCNH2
SCHEMBL16408738 0.69 NPC1 (0.34) PTGER4PTGER2
SCHEMBL15549241 0.67 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL17946216 0.63 CHRM2 (0.38) PTGER4PTGER2PTGER3
SCHEMBL11929362 0.63 CHRM2 (0.38) PTGER4PTGER2PTGER3
SCHEMBL12301043 0.63 CHRM2 (0.38) PTGER4PTGER2PTGER3

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
US-20160158413-A1 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2016-06-09 — — US disclosed
Send feedback