SCHEMBL7788533

SCHEMBL7788533

O=C(O)CCC(NC(=O)C1CCC(=O)N1)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 12/20 0.42
▸ HDAC11 Q96DB2 12/20 0.42
▸ HDAC6 Q9UBN7 12/20 0.42
▸ HDAC1 Q13547 11/20 0.42
▸ HDAC2 Q92769 11/20 0.42
▸ HDAC10 Q969S8 11/20 0.42
▸ HDAC8 Q9BY41 11/20 0.42
▸ NCOR2 Q9Y618 4/20 0.42
▸ KEAP1 Q14145 3/20 0.41
▸ OPRK1 P41145 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 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
SCHEMBL7788528 1.00 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL7787536 0.94 HDAC3 (0.40) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL7787541 0.94 HDAC3 (0.40) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL10341274 0.84 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL30844021 0.84 HDAC3 (0.47) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL29727699 0.82 OPRL1 (0.43) —
Glaspimod SCHEMBL609834 0.80 FOLH1 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL22319322 0.79 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL22319323 0.79 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL11173161 0.79 FOLH1 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150689-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-07 — — EP disclosed
EP-1150690-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-07 — — EP disclosed
WO-2000048610-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2000-08-24 — — WO disclosed
WO-2000048609-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2000-08-24 — — WO disclosed
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