SCHEMBL25155126

SCHEMBL25155126

Cc1ccc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1C(=O)NC1(c2cccc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.40
▸ NR1D1 P20393 8/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ IL1B P01584 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ ADAM17 P78536 1/20 0.35

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
SCHEMBL25156101 1.00 HDAC8 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL31360320 1.00 HDAC8 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL31360021 1.00 HDAC8 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL25156047 1.00 HDAC8 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL30344427 1.00 HDAC8 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL25156235 0.95 KDM1A (0.41) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL30343995 0.95 KDM1A (0.41) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL30344795 0.95 KDM1A (0.44) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL25155307 0.95 KDM1A (0.44) HDAC8NR1D1KDM1AIL1BP2RX7
SCHEMBL31360102 0.92 NR1D1 (0.40) HDAC8NR1D1KDM1AIL1BP2RX7

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 — — WO disclosed
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