SCHEMBL29952623

SCHEMBL29952623

CCCOc1cccc2cc(B(O)O)oc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.47
CNR2 P34972 7/20 0.46
KDM4E B2RXH2 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 4/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MCHR1 Q99705 1/20 0.40
CYP2A6 P11509 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
SCHEMBL7929575 0.81 CNR2 (0.44) F2RL3CNR2ADORA3ADORA2AADORA1
SCHEMBL22132823 0.80 LMNA (0.56) KDM4EMGLLHSD17B10TDP1ADORA3
SCHEMBL7929572 0.80 F2RL3 (0.47) F2RL3CNR2ADORA3ADORA2AADORA1
SCHEMBL15417664 0.79 F2RL3 (0.47) F2RL3CNR2KDM4EADORA3ADORA2A
SCHEMBL29902834 0.76 LMNA (0.68) F2RL3CNR2ADORA3ADORA2AADORA1
SCHEMBL10649682 0.76 LMNA (0.68) F2RL3CNR2ADORA3ADORA2AADORA1
SCHEMBL11347672 0.74 CNR2 (0.48) F2RL3CNR2ADORA3ADORA2AADORA1
SCHEMBL7929502 0.74 CNR2 (0.41) F2RL3CNR2KDM4EADORA3ADORA2A
SCHEMBL27934305 0.73 CA12 (0.70) CNR2HSD17B10ADORA3ADORA2AADORA1
SCHEMBL11346203 0.73 CNR2 (0.47) F2RL3CNR2ADORA3ADORA2AADORA1

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