SCHEMBL24516481

SCHEMBL24516481

COc1cccc(C2CC=CC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
HTR2C P28335 3/20 0.50
CYP19A1 P11511 1/20 0.50
GID4 Q8IVV7 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL24516489 0.80 DDB1 (0.49) DDB1CRBNCYP19A1MEN1NPC1
SCHEMBL8329714 0.75 HTR2C (0.54) DDB1CRBNHTR2CGID4MEN1
SCHEMBL21286784 0.75 DDB1 (0.67) DDB1CRBNHTR2CCYP19A1GID4
SCHEMBL23705886 0.75 HTR2C (0.58) DDB1CRBNHTR2CCYP19A1NPC1
SCHEMBL23676966 0.74 HTR2C (0.61) DDB1CRBNHTR2CMEN1NPC1
SCHEMBL1515134 0.73 HTR2C (0.77) DDB1CRBNHTR2CGID4HTR2A
SCHEMBL30997824 0.73 HTR2C (0.77) DDB1CRBNHTR2CGID4HTR2A
SCHEMBL317559 0.73 GID4 (0.63) DDB1CRBNHTR2CCYP19A1GID4
SCHEMBL10938628 0.73 MAPT (0.43) DDB1CRBNCYP19A1KMT2ALMNA
SCHEMBL24516525 0.73 SLC6A4 (0.46) HTR2CHTR2BDRD2

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-2022122975-A1 CYCLOPENTENONES DERIVATIVES AND THEIR USE AS ANTIBIOTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-06-16 WO disclosed