SCHEMBL8048316

SCHEMBL8048316

CCN(CCC(=O)OCCCCl)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GPX4 P36969 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ GFER P55789 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ PPARG P37231 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8055680 0.93 GFER (0.44) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL8038475 0.89 GFER (0.46) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL11745632 0.88 GFER (0.44) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL11506912 0.86 SMN1; SMN2 (0.50) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL8048343 0.85 GFER (0.44) MAPTALDH1A1TP53LMNAHTT
SCHEMBL8038156 0.85 GFER (0.47) MAPTALDH1A1TP53LMNAHTT
SCHEMBL9651135 0.84 MAPT (0.46) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL9651127 0.81 ALDH1A1 (0.47) MAPTALDH1A1TP53NPC1GPX4
SCHEMBL11596266 0.81 GFER (0.41) MAPTALDH1A1TP53LMNAHTT
SCHEMBL11310770 0.81 RAB9A (0.42) MAPTALDH1A1TP53NPC1GPX4

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-0876429-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AG (DE) 2000-05-03 — — EP disclosed
US-5998592-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 1999-12-07 — — US disclosed
EP-0876429-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 — — EP disclosed
WO-1997027247-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 — — WO disclosed
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