SCHEMBL24717003

SCHEMBL24717003

CC(C)(C)C1CCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC5 Q9UQL6 2/20 0.39
BPTF Q12830 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 5/20 0.38
EP300 Q09472 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKCZ Q05513 1/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL9891746 0.83 CNR2 (0.45) TSHRCNR2CYP2C19
SCHEMBL9892990 0.80 ABL1 (0.44) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL24717007 0.79 HDAC1 (0.43) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL24717012 0.79 BPTF (0.34) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL9891747 0.78 CNR2 (0.47) HDAC1HDAC8HDAC6HDAC5CNR2
SCHEMBL9891772 0.77 BPTF (0.39) HDAC1HDAC8HDAC6HDAC5BPTF
SCHEMBL9891736 0.76 ALDH1A1 (0.41) HDAC1HDAC8HDAC6
SCHEMBL9891750 0.76 NOTUM (0.50) HDAC1HDAC8HDAC6HDAC5CCR1
SCHEMBL9891748 0.75 CNR2 (0.38) HDAC1HDAC8HDAC6HDAC5CNR2
SCHEMBL24415608 0.75 SLC6A2 (0.41) BPTFTSHREP300CCR1CCR2

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-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed