SCHEMBL7243074

SCHEMBL7243074

CC(C)(C)OC(=O)NC(CCCCN)C(=O)Nc1cc(C(=O)O)ccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC3 O15379 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46
▸ AAK1 Q2M2I8 2/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ ERAP2 Q6P179 4/20 0.42
▸ ERAP1 Q9NZ08 3/20 0.42
▸ LNPEP Q9UIQ6 2/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL5970345 0.91 KLKB1 (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970341 0.91 KLKB1 (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970412 0.88 ERAP2 (0.45) ERAP2ERAP1LNPEPCA1CA2
SCHEMBL6350473 0.84 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6433206 0.80 KLKB1 (0.48) ERAP2ERAP1LNPEPCA1CA2
SCHEMBL6433203 0.80 KLKB1 (0.48) ERAP2ERAP1LNPEPCA1CA2
SCHEMBL4729560 0.78 HDAC4 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5971347 0.77 KLKB1 (0.62) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970413 0.76 KLKB1 (0.49) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5971337 0.75 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP claimed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO claimed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US disclosed
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