SCHEMBL24807366

SCHEMBL24807366

CNC(=O)c1cc(-c2ccc(C(C)C)cc2)cc(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ANPEP P15144 1/20 0.43
AKR1C3 P42330 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
AKR1C2 P52895 1/20 0.43
HSP90AA1 P07900 1/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
PTPN5 P54829 1/20 0.40
ROCK2 O75116 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL25614809 0.91 AKR1C3 (0.46) HSD17B1HSD17B2ANPEPAKR1C3RXRA
SCHEMBL19391346 0.84 HDAC2 (0.53) KIF11ANPEPHDAC6HDAC2HDAC8
SCHEMBL24809157 0.84 RXRA (0.55) HSD17B1HSD17B2RXRARXRBRXRG
SCHEMBL19369014 0.83 CRBN (0.54) RXRARXRBRXRGHDAC6HDAC8
SCHEMBL1004004 0.82 HDAC8 (0.43) HDAC6HDAC2HDAC8
SCHEMBL105171 0.79 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC8CYP2C9
SCHEMBL20346989 0.76 CA12 (0.39) HDAC6HDAC2HDAC8
SCHEMBL12030869 0.76 TAS1R3 (0.40) HDAC6HDAC2HDAC8
SCHEMBL12026617 0.75 CES2 (0.42) ANPEPHDAC6HDAC2HDAC8
SCHEMBL3080949 0.74 RXRA (0.57) KIF11RXRARXRBRXRGAKR1C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107673-A2 CLEAVABLE DISULFIDE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2023-06-15 WO disclosed
WO-2022271970-A1 METHODS AND COMPOSITIONS USEFUL FOR NUCLEIC ACID SEQUENCING Singular Genomics Systems, Inc. (US) 2022-12-29 WO disclosed