SCHEMBL21806091

SCHEMBL21806091

CCN(CC)c1ccc2cc(C(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ SLC16A3 O15427 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ SLC16A1 P53985 1/20 0.52
▸ MEN1 O00255 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAOB P27338 3/20 0.49
▸ ATM Q13315 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47

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
SCHEMBL28625138 0.90 GBA1 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL27310733 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL27308862 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL30898572 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL27099971 0.88 KMT2A (0.57) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL8398863 0.84 KMT2A (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL22386529 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL19158987 0.83 KMT2A (0.54) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL13521824 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL12221079 0.81 KMT2A (0.59) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US disclosed
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US disclosed
CN-113423698-A Coumarin-based crosslinking agents 文塔纳医疗系统公司 2021-09-21 — — CN disclosed
EP-3853214-A1 COUMARIN-BASED CROSSLINKING REAGENTS Ventana Medical Systems, Inc. (US) 2021-07-28 — — EP disclosed
WO-2020058339-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. (US) 2020-03-26 — — WO disclosed
WO-2020058339-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. (US) 2020-03-26 — — WO disclosed
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