SCHEMBL5970942

SCHEMBL5970942

CC(=O)NC(CCCCN)C(=O)Nc1ccc(C(=O)O)c(-c2cccc(O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.52
▸ HPGDS O60760 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ CPA2 P48052 1/20 0.41
▸ CPA4 Q9UI42 1/20 0.41
▸ SIRT1 Q96EB6 5/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC4 P56524 3/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38

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
SCHEMBL5970300 1.00 SIRT5 (0.52) SIRT5HPGDSALDH1A1TSHRCA1
SCHEMBL5970151 0.91 CPA1 (0.46) SIRT5ALDH1A1TSHRCA1CA2
SCHEMBL5970241 0.91 SIRT5 (0.48) SIRT5HPGDSALDH1A1TSHRCA1
SCHEMBL5970333 0.91 HDAC4 (0.45) SIRT5HPGDSSIRT1SIRT2HDAC1
SCHEMBL5970251 0.91 SIRT5 (0.48) SIRT5HPGDSALDH1A1TSHRCA1
SCHEMBL5970269 0.90 HPGDS (0.43) SIRT5HPGDSSIRT1SIRT2PLG
SCHEMBL5970093 0.89 HPGDS (0.55) HPGDSPLGHDAC1HDAC4HDAC3
SCHEMBL5970592 0.88 SIRT5 (0.54) SIRT5HPGDSALDH1A1TSHRCA1
SCHEMBL5970983 0.87 SIRT5 (0.55) SIRT5HPGDSCA1CA2SIRT1
SCHEMBL5970139 0.87 SIRT5 (0.55) SIRT5HPGDSCA1CA2SIRT1

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
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP 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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