SCHEMBL24809157

SCHEMBL24809157

CNC(=O)c1cc(-c2cccc(C(C)C)c2)cc(C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
PTPN5 P54829 2/20 0.46
KAT6A Q92794 3/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TP53BP1 Q12888 1/20 0.42
CDK8 P49336 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CRBN Q96SW2 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 1/20 0.41
ROCK2 O75116 1/20 0.40
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL24807366 0.84 KIF11 (0.45) RXRARXRBRXRGPTPN5HDAC8
SCHEMBL276759 0.84 HDAC8 (0.59) RXRARXRBRXRGKAT6AHDAC8
SCHEMBL25614809 0.82 AKR1C3 (0.46) RXRARXRBRXRGHSD17B1HSD17B2
SCHEMBL19369014 0.80 CRBN (0.54) RXRARXRBRXRGPTPN5HDAC8
SCHEMBL1004004 0.80 HDAC8 (0.43) KAT6AHDAC8HDAC6CDK8KDM4E
SCHEMBL26378227 0.77 BRAF (0.49) RXRARXRBRXRGPTPN5
SCHEMBL13702375 0.76 HDAC8 (0.68) HDAC8HDAC6CDK8CRBNCYP3A4
SCHEMBL8676319 0.76 RXRA (0.56) RXRARXRBRXRGPTPN5HDAC8
SCHEMBL4602193 0.76 RXRA (0.78) RXRARXRBRXRGPTPN5
SCHEMBL24726523 0.75 RXRA (0.58) RXRARXRBRXRGCDK8CA1

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-2022271970-A1 METHODS AND COMPOSITIONS USEFUL FOR NUCLEIC ACID SEQUENCING Singular Genomics Systems, Inc. (US) 2022-12-29 WO disclosed