SCHEMBL31609082

SCHEMBL31609082

Cc1cccc2c1OCC2C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.47
PSMB8 P28062 2/20 0.47
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1A P35348 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL27951692 0.83 ADRA2A (0.47) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL5544658 0.80 PSMB5 (0.41) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL20480237 0.79 PSMB8 (0.47) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL20480557 0.79 HTR1A (0.38) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL20480675 0.79 PSMB5 (0.47) PSMB5ALDH1A1LMNAHTT
SCHEMBL1743731 0.77 MAP3K14 (0.43) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL20480509 0.76 FFAR1 (0.46) ALDH1A1
SCHEMBL10372835 0.74 AKR1C3 (0.43) BRD4ALDH1A1MAOB
SCHEMBL20314790 0.74 MEN1 (0.44) PSMB5PSMB8ADRA2AADRA2BADRA1A
SCHEMBL20314793 0.74 MEN1 (0.44) PSMB5PSMB8ADRA2AADRA2BADRA1A

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-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed