SCHEMBL31554955

SCHEMBL31554955

O=C(O)c1cccc(C2=CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.59
▸ ACMSD Q8TDX5 2/20 0.57
▸ KMO O15229 2/20 0.51
▸ RXRA P19793 2/20 0.46
▸ RXRB P28702 2/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CD74 P04233 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA6 P23280 1/20 0.42

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
SCHEMBL417671 1.00 SERPINE1 (0.59) SERPINE1ACMSDKMORXRARXRB
SCHEMBL6051820 0.95 ACMSD (0.56) SERPINE1ACMSDKMORXRARXRB
SCHEMBL27853805 0.87 SERPINE1 (0.51) SERPINE1ACMSDKMORXRARXRB
SCHEMBL11675977 0.86 SERPINE1 (0.52) SERPINE1ACMSDHDAC3HDAC1HDAC2
SCHEMBL6069021 0.81 ACMSD (0.61) SERPINE1ACMSDRXRARXRBHDAC3
Bicarbonate SCHEMBL10361427 0.81 ACMSD (0.56) SERPINE1ACMSDHDAC3HDAC1HDAC2
Bicarbonate SCHEMBL4405707 0.79 ACMSD (0.54) SERPINE1ACMSDHDAC3HDAC1HDAC2
Bicarbonate SCHEMBL4411768 0.79 ACMSD (0.54) SERPINE1ACMSDHDAC3HDAC1HDAC2
SCHEMBL13701693 0.79 SERPINE1 (0.55) SERPINE1ACMSDHDAC3HDAC1HDAC2
SCHEMBL8380044 0.76 ACMSD (0.49) SERPINE1ACMSDMEN1KMT2A

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-2025093558-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2025-05-08 — — WO disclosed
Send feedback