SCHEMBL31530706

SCHEMBL31530706

Oc1ccc(C(O)CNCCNCC(O)c2ccc(O)c(O)c2)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.68
MAPT P10636 7/20 0.68
TDP1 Q9NUW8 7/20 0.68
ADRB1 P08588 6/20 0.68
KDM4E B2RXH2 6/20 0.68
DRD2 P14416 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
ADRB3 P13945 4/20 0.68
MAPK1 P28482 4/20 0.68
DRD3 P35462 4/20 0.68
HSD17B10 Q99714 4/20 0.68
DRD1 P21728 4/20 0.68
MTOR P42345 3/20 0.68
TSHR P16473 3/20 0.68
CYP3A4 P08684 3/20 0.68
ADORA3 P0DMS8 3/20 0.68
ADRA1D P25100 3/20 0.68
ADRA1A P35348 3/20 0.68
ADRA1B P35368 3/20 0.68

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
SCHEMBL31530707 1.00 ADRB2 (0.68) ADRB2MAPTTDP1ADRB1KDM4E
Hexoprenaline SCHEMBL32668781 0.91 ADRB2 (0.72) ADRB2MAPTTDP1ADRB1KDM4E
Hexoprenaline SCHEMBL121449 0.91 ADRB2 (0.72) ADRB2MAPTTDP1ADRB1KDM4E
SCHEMBL3503273 0.90 ADRB2 (0.65) ADRB2MAPTTDP1ADRB1KDM4E
SCHEMBL3215110 0.90 ADRB2 (0.65) ADRB2MAPTTDP1ADRB1KDM4E
Hexoprenaline SCHEMBL3500862 0.90 ADRB2 (0.70) ADRB2MAPTTDP1ADRB1KDM4E
Hexoprenaline SCHEMBL1604446 0.90 ADRB2 (0.70) ADRB2MAPTTDP1ADRB1KDM4E
Hydrochloric Acid SCHEMBL3207449 0.88 ADRB2 (0.66) ADRB2MAPTTDP1ADRB1KDM4E
SCHEMBL23727888 0.87 ADRB2 (0.60) ADRB2MAPTTDP1ADRB1KDM4E
SCHEMBL3220388 0.87 ADRB2 (0.61) ADRB2MAPTTDP1ADRB1KDM4E

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
WO-2025047582-A1 CYCLIC OLEFIN COPOLYMER, RESIN COMPOSITION, AND MOLDED ARTICLE ポリプラスチックス株式会社 2025-03-06 WO claimed