SCHEMBL24529754

SCHEMBL24529754

Cc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Cl)/C(=C/CC3Nc4ccc(C)cc4C3(C)C)CCC1)=[N+]2CCCCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
FOLH1 Q04609 1/20 0.30

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
SCHEMBL16500584 0.73 FOLH1 (0.47) FOLH1
SCHEMBL13005202 0.71 HDAC3 (0.33) HDAC3HDAC1HDAC6
SCHEMBL10090498 0.71 FOLH1 (0.41) FOLH1
SCHEMBL10090427 0.70 BRD4 (0.45) FOLH1
SCHEMBL16002956 0.70 FOLH1 (0.47) HDAC3HDAC1HDAC6FOLH1
SCHEMBL16940687 0.69 PRMT1 (0.51) HDAC3HDAC1HDAC6FOLH1
SCHEMBL24842484 0.69 PRMT1 (0.51) HDAC3HDAC1HDAC6FOLH1
SCHEMBL12713861 0.69 PRMT1 (0.51) HDAC3HDAC1HDAC6FOLH1
SCHEMBL24529761 0.69 FOLH1 (0.34) HDAC3HDAC1HDAC6FOLH1
SCHEMBL25489625 0.69 FOLH1 (0.50) FOLH1

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-2022129336-A1 PH RESPONSIVE CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING SPA (IT) 2022-06-23 WO disclosed