SCHEMBL29954929

SCHEMBL29954929

OB(O)c1cccc(OC2CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.40
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
BRD4 O60885 1/20 0.35
MCHR1 Q99705 3/20 0.34
PIM1 P11309 3/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
S1PR1 P21453 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL29956235 0.97 FFAR4 (0.41) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL29955946 0.95 FFAR4 (0.40) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL29953489 0.81 FFAR2 (0.35) KCNH2
SCHEMBL16334168 0.74 FFAR4 (0.40) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL22105815 0.74 SLC6A2 (0.41) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL23967053 0.74 FFAR4 (0.40) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL4844 0.74 SLC6A2 (0.41) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL4065515 0.74 MCHR1 (0.50) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL29851342 0.74 BRD4 (0.42) FFAR4SLC6A2SLC6A4KCNH2BRD4
SCHEMBL12093726 0.74 BRD4 (0.42) FFAR4SLC6A2SLC6A4KCNH2BRD4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed